SCHEMBL1996562

SCHEMBL1996562

CC(C)[SnH2+4]C(C)C.O=C([O-])/C=C(/Cc1ccccc1)C(=O)[O-].O=C([O-])/C=C(/Cc1ccccc1)C(=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
AKR1B1 P15121 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
POLB P06746 2/20 0.36
ALPL P05186 1/20 0.36
ALPG P10696 1/20 0.36
CNR2 P34972 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PSMB8 P28062 1/20 0.34

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
SCHEMBL1998000 0.86 CES2 (0.40) TSHRCES2CES1CYP3A4CYP2C9
SCHEMBL1996564 0.85 CES2 (0.42) TSHRCES2CES1CYP3A4CYP2C9
SCHEMBL1996436 0.84 CES1 (0.43) TSHRCES2CES1CYP3A4CYP2C9
SCHEMBL1998002 0.83 CES2 (0.40) TSHRCES2CES1CYP3A4CYP2C9
SCHEMBL1993560 0.82 CES1 (0.44) TSHRCES2CES1CYP3A4CYP2C9
SCHEMBL1998135 0.82 CES1 (0.44) TSHRCES2CES1CYP3A4CYP2C9
SCHEMBL8998702 0.81 CES1 (0.41) TSHRCES2CES1CYP3A4CYP2C9
SCHEMBL2298764 0.79 CES1 (0.42) TSHRCES2CES1CYP3A4CYP2C9
SCHEMBL635152 0.79 CNR2 (0.39) CES2CES1CYP3A4CYP2C9AKR1B1
SCHEMBL1998136 0.79 CES1 (0.44) TSHRCES2CES1CYP3A4CYP2C9

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456746-B1 TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE BRIDGESTONE CORP (JP) 2023-04-19 EP disclosed
US-10875937-B2 Terminal-modified conjugated diene polymer, rubber composition and rubber article BRIDGESTONE CORPORATION (JP) 2020-12-29 US disclosed
US-10550203-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2020-02-04 US disclosed
US-20190161571-A1 TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION, RUBBER PRODUCT AND METHOD FOR MANUFACTURING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER BRIDGESTONE CORPORATION (JP) 2019-05-30 US disclosed
US-20190153123-A1 TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION AND RUBBER ARTICLE BRIDGESTONE CORPORATION (JP) 2019-05-23 US disclosed
EP-3466985-A1 TERMINALLY MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION, RUBBER PRODUCT, AND METHOD FOR PRODUCING TERMINALLY MODIFIED CONJUGATED DIENE POLYMER Bridgestone Corporation (JP) 2019-04-10 EP disclosed
EP-3456746-A1 TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE Bridgestone Corporation (JP) 2019-03-20 EP disclosed
US-20180319905-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2018-11-08 US disclosed
EP-3029074-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2017-08-02 EP disclosed
US-20170015760-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-19 US disclosed
US-8362156-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2013-01-29 US disclosed
US-8314189-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2012-11-20 US disclosed
US-8309657-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2012-11-13 US disclosed
US-20110196086-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2011-08-11 US disclosed
EP-2336233-A1 RUBBER COMPOSITION Bridgestone Corporation (JP) 2011-06-22 EP disclosed
US-20100280217-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-11-04 US disclosed
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP disclosed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO disclosed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO disclosed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US disclosed