SCHEMBL15437698

SCHEMBL15437698

Oc1ccccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
CA2 P00918 3/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
NFKB1 P19838 2/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.36
GMNN O75496 1/20 0.36
EGFR P00533 1/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
CA3 P07451 1/20 0.36
CYP3A4 P08684 1/20 0.36
MMP9 P14780 1/20 0.36
HPGD P15428 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL3931625 1.00 ALDH1A1 (0.45) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL15438040 1.00 ALDH1A1 (0.45) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL2130849 1.00 ALDH1A1 (0.45) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL2131539 1.00 ALDH1A1 (0.45) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL8847292 0.98 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL6265278 0.91 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL21774923 0.87 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL25364942 0.85 MCL1 (0.40) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL25364468 0.85 MCL1 (0.40) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL28730692 0.84 LMNA (0.39) ALDH1A1TDP1TSHRCA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946364-B2 Solution phase polydiacetylene synthesis by alkyne metathesis EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-02-03 US claimed
US-20140031506-A1 SOLUTION PHASE POLYDIACETYLENE SYNTHESIS BY ALKYNE METATHESIS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-01-30 US claimed
WO-2014018021-A1 SOLUTION PHASE POLYDIACETYLENE SYNTHESIS BY ALKYNE METATHESIS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-01-30 WO claimed
CN-103732650-B Polycarbonate resin, coating liquid containing same, and molded article molded using same 出光兴产株式会社 2016-06-08 CN disclosed
CN-105121525-A Coating liquid, laminate, optical device, and electronic device IDEMITSU KOSAN CO 2015-12-02 CN disclosed
US-8946364-B2 Solution phase polydiacetylene synthesis by alkyne metathesis EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-02-03 US disclosed
US-20140031506-A1 SOLUTION PHASE POLYDIACETYLENE SYNTHESIS BY ALKYNE METATHESIS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-01-30 US disclosed
WO-2014018021-A1 SOLUTION PHASE POLYDIACETYLENE SYNTHESIS BY ALKYNE METATHESIS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-01-30 WO disclosed