SCHEMBL2436976

SCHEMBL2436976

FC(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KIF11 P52732 1/20 0.36
CES1 P23141 2/20 0.35
PTPN1 P18031 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
KCNN4 O15554 1/20 0.30
TRPV6 Q9H1D0 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2437783 0.91 TSHR (0.41) TSHRALDH1A1KIF11CES1PTPN1
SCHEMBL10801908 0.87 ALDH1A1 (0.40) TSHRALDH1A1CA1CA2CA9
SCHEMBL47554 0.87 ALDH1A1 (0.40) TSHRALDH1A1CA1CA2CA9
Perflubutane SCHEMBL7058920 0.86 TSHR (0.38) TSHRALDH1A1KIF11CES1PTPN1
SCHEMBL12762137 0.83 ALDH1A1 (0.38) TSHRALDH1A1CA1CA2CA9
SCHEMBL2058664 0.83 ALDH1A1 (0.38) TSHRALDH1A1CA1CA2CA9
Fluoride Ion SCHEMBL10437963 0.83 ALDH1A1 (0.39) TSHRALDH1A1CA1CA2CA9
Methane SCHEMBL2440754 0.83 ALDH1A1 (0.38) TSHRALDH1A1CA1CA2CA9
Bromide SCHEMBL60557 0.83 ALDH1A1 (0.38) TSHRALDH1A1CA1CA2CA9
SCHEMBL126923 0.83 ALDH1A1 (0.38) TSHRALDH1A1CA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078028-B1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA (US) 2011-09-07 EP claimed
EP-2121783-A1 POLYMERS USEFUL IN PHOTORESIST COMPOSITIONS AND COMPOSITIONS THEREOF AZ Electronic Materials USA Corp. (US) 2009-11-25 EP claimed
US-7601480-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-10-13 US claimed
EP-2102184-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2009-09-23 EP claimed
EP-2102156-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2009-09-23 EP claimed
EP-2078028-A1 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2009-07-15 EP claimed
US-7521170-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-04-21 US claimed
US-20090087782-A1 Iodonium or sulfonium di-(tetrafluoroethyl sulfonate) ether acid generators; imaging negative and positive patterns in semiconductors and photoresists; microlithography; high photosensitivity MERCK PATENT GMBH (DE) 2009-04-02 US claimed
US-7491482-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-02-17 US claimed
WO-2008087549-A1 POLYMERS USEFUL IN PHOTORESIST COMPOSITIONS AND COMPOSITIONS THEREOF AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-07-24 WO claimed
US-20080153032-A1 Photoactive Compounds MERCK PATENT GMBH (DE) 2008-06-26 US claimed
US-7390613-B1 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2008-06-24 US claimed
WO-2008068617-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-06-12 WO claimed
WO-2008068610-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-06-12 WO claimed
US-20080131811-A1 Photoactive Compounds MERCK PATENT GMBH (DE) 2008-06-05 US claimed
US-20080131810-A1 Photoactive Compounds MERCK PATENT GMBH (DE) 2008-06-05 US claimed
EP-1915360-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2008-04-30 EP claimed
WO-2008041123-A1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-04-10 WO claimed
WO-2007007175-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIAL USA CORP. (DE) 2007-01-18 WO claimed
EP-2384457-B1 COATING COMPOSITIONS MERCK PATENT GMBH (DE) 2022-07-06 EP disclosed
US-9146467-B2 Coating compositions MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20130236833-A1 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-09-12 US disclosed
US-8252503-B2 Photoresist compositions AZ ELECTRONIC MATERIALS USA CORP. (US) 2012-08-28 US disclosed
EP-2384457-A2 COATING COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2011-11-09 EP disclosed
EP-2078028-B1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA (US) 2011-09-07 EP disclosed
EP-2197924-A2 POLYMERS FOR USE IN PHOTORESIST COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2010-06-23 EP disclosed
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO disclosed
EP-2111567-A2 PHOTORESIST COMPOSITION AZ Electronic Materials USA Corp. (US) 2009-10-28 EP disclosed
EP-2078028-A1 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2009-07-15 EP disclosed
US-20090087782-A1 Iodonium or sulfonium di-(tetrafluoroethyl sulfonate) ether acid generators; imaging negative and positive patterns in semiconductors and photoresists; microlithography; high photosensitivity MERCK PATENT GMBH (DE) 2009-04-02 US disclosed
WO-2009027794-A2 POLYMERS FOR USE IN PHOTORESIST COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2009-03-05 WO disclosed
US-20090053652-A1 PHOTORESIST COMPOSITIONS MERCK PATENT GMBH (DE) 2009-02-26 US disclosed
WO-2008096263-A2 PHOTORESIST COMPOSITION AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-08-14 WO disclosed
EP-1915360-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2008-04-30 EP disclosed
WO-2008041123-A1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-04-10 WO disclosed
WO-2007007175-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIAL USA CORP. (DE) 2007-01-18 WO disclosed
WO-2007007175-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIAL USA CORP. (DE) 2007-01-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080131811-A1 Photoactive Compounds PRXL2A, PRDX2, AOC2 TSHR 3855/4885ALDH1A1 1613/4885KIF11 3215/4885
US-20080131810-A1 Photoactive Compounds CRY2, AOC2, AFF2 TSHR 3997/4885ALDH1A1 2000/4885KIF11 2782/4885
US-20080153032-A1 Photoactive Compounds SUN2, CRY2, SCO2 TSHR 4095/4885ALDH1A1 3915/4885KIF11 3797/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.