SCHEMBL4835199

SCHEMBL4835199

C#CB(O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
WDR5 P61964 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PARP1 P09874 1/20 0.34
PYCR1 P32322 1/20 0.34
ENPP2 Q13822 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX5 P09917 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
HTR3B O95264 1/20 0.33
PLAU P00749 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL1138514 0.76 ORAI1 (0.54) TSHRORAI1ORAI2ORAI3TRPV6
SCHEMBL11815 0.76 ENPP2 (0.56) TSHRORAI1ORAI2ORAI3TRPV6
SCHEMBL24871112 0.72 TSHR (0.44) TSHRORAI1ORAI2ORAI3TRPV6
SCHEMBL1193871 0.71
Boric Acid SCHEMBL2464491 0.70 TSHR (0.57) TSHRALDH1A1PARP1ENPP2MEN1
Ethylene Glycol SCHEMBL5256026 0.69 ENPP2 (0.53) TSHRALDH1A1ENPP2
SCHEMBL16716648 0.68 TSHR (0.40) TSHRORAI1ORAI2ORAI3TRPV6
SCHEMBL1187173 0.68 TSHR (0.40) TSHRORAI1ORAI2ORAI3TRPV6
SCHEMBL7461964 0.68 TSHR (0.40) TSHRORAI1ORAI2ORAI3TRPV6
SCHEMBL4437860 0.68 CYP3A4 (0.41) TSHRORAI1ORAI2ORAI3TRPV6

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757197-A2 Retroreflective elements and articles 3M Innovative Properties Company (US) 2014-07-23 EP disclosed
EP-1709252-B1 RETROREFLECTIVE ELEMENTS AND ARTICLES 3M INNOVATIVE PROPERTIES CO (US) 2014-03-26 EP disclosed
CN-100541240-C Retroreflective elements and pavement markers 3M INNOVATIVE PROPERTIES CO (US) 2009-09-16 CN disclosed
US-7458693-B2 Retroreflective elements and articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-12-02 US disclosed
US-7413316-B2 Retroreflective elements and articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-08-19 US disclosed
US-20080145146-A1 RETROREFLECTIVE ELEMENTS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2008-06-19 US disclosed
US-20070206285-A1 RETROREFLECTIVE ELEMENTS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 US disclosed
CN-1910322-A Retroreflective elements and articles 3M INNOVATIVE PROPERTIES CO (US) 2007-02-07 CN disclosed
US-7168815-B2 Retroreflective elements and articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-30 US disclosed
US-7156528-B2 Retroreflective elements and articles 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-02 US disclosed
EP-1709252-A1 RETROREFLECTIVE ELEMENTS AND ARTICLES 3M Innovative Properties Company (US) 2006-10-11 EP disclosed
WO-2005073468-A1 RETROREFLECTIVE ELEMENTS AND ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-08-11 WO disclosed
US-20050157389-A1 Retroreflective elements and articles 3M INNOVATIVE PROPERTIES COMPANY 2005-07-21 US disclosed
US-20050157390-A1 Retroreflective elements and articles 3M INNOVATIVE PROPERTIES COMPANY 2005-07-21 US disclosed