SCHEMBL1998002

SCHEMBL1998002

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
AKR1B1 P15121 1/20 0.36
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
POLB P06746 2/20 0.35
ALPL P05186 1/20 0.35
ALPG P10696 1/20 0.35
CNR2 P34972 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL1996564 0.86 CES2 (0.42) CES2CES1TSHRCYP3A4CYP2C9
SCHEMBL1998000 0.83 CES2 (0.40) CES2CES1TSHRCYP3A4CYP2C9
SCHEMBL1996562 0.83 TSHR (0.44) CES2CES1TSHRCYP3A4CYP2C9
SCHEMBL1993561 0.82 CES1 (0.44) CES2CES1TSHRCYP3A4CYP2C9
SCHEMBL8998708 0.82 CES1 (0.41) CES2CES1TSHRCYP3A4CYP2C9
SCHEMBL3681034 0.80 CNR2 (0.41) TSHRCYP3A4POLBCNR2MEN1
SCHEMBL2298764 0.80 CES1 (0.42) CES2CES1TSHRCYP3A4CYP2C9
SCHEMBL1998136 0.80 CES1 (0.44) CES2CES1TSHRCYP3A4CYP2C9
SCHEMBL635153 0.80 CNR2 (0.39) CES2CES1CYP3A4CYP2C9AKR1B1
SCHEMBL1996436 0.78 CES1 (0.43) CES2CES1TSHRCYP3A4CYP2C9

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