SCHEMBL674355

SCHEMBL674355

CC(C)(CCCC(=O)[O-])C(=O)[O-].CCCCC(CC)C[Sn+2]CC(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.53
CA1 P00915 1/20 0.39
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
FABP3 P05413 3/20 0.33
MAPK1 P28482 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
Adipic Acid SCHEMBL673668 0.85 CA2 (0.66) CA2CA1NFKB1TDP1TSHR
SCHEMBL3779276 0.85 CA2 (0.51) CA2CA1NFKB1TDP1TSHR
SCHEMBL672316 0.84 CA2 (0.50) CA2CA1NFKB1TDP1TSHR
Hexanoate SCHEMBL6433822 0.84 CA2 (0.64) CA2CA1NFKB1TDP1TSHR
Stearic Acid SCHEMBL4454256 0.83 CA2 (0.62) CA2CA1NFKB1TDP1TSHR
Dodecanoate SCHEMBL4445235 0.83 CA2 (0.62) CA2CA1NFKB1TDP1TSHR
SCHEMBL674546 0.78 CA1 (0.38) CA2CA1NFKB1
SCHEMBL673918 0.78 CA1 (0.47) CA2CA1NFKB1FABP3
SCHEMBL3771040 0.78 CA2 (0.49) CA2CA1NFKB1TDP1TSHR
Acetic Acid SCHEMBL4447848 0.77 CA2 (0.56) CA2CA1TDP1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3851489-A1 MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT BRIDGESTONE CORPORATION (JP) 2021-07-21 EP disclosed
EP-2098541-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORP (JP) 2013-06-05 EP disclosed
EP-1873168-B1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORP (JP) 2012-12-12 EP disclosed
EP-1958980-B1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORP (JP) 2012-10-31 EP disclosed
US-7968652-B2 Modified conjugated diene copolymer, rubber compositions and tires BRIDGESTONE CORPORATION (JP) 2011-06-28 US disclosed
US-20100317794-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORPORATION (JP) 2010-12-16 US disclosed
US-20100160530-A1 RUBBER COMPOSITION CONTAINING MODIFIED POLYBUTADIENE RUBBER AND TIRE BRIDGESTRONE CORPORATION (JP) 2010-06-24 US disclosed
US-20090292043-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORPORATION (JP) 2009-11-26 US disclosed
US-20090270525-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR CORPORATION (JP) 2009-10-29 US disclosed
EP-2098541-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR Corporation (JP) 2009-09-09 EP disclosed
EP-1975200-A1 RUBBER COMPOSITION CONTAINING MODIFIED POLYBUTADIENE RUBBER AND TIRE Bridgestone Corporation (JP) 2008-10-01 EP disclosed
EP-1958980-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR Corporation (JP) 2008-08-20 EP disclosed
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP disclosed
EP-1026181-B1 Method of producing conjugated diene polymer JSR CORP (JP) 2004-11-24 EP disclosed
EP-0957115-B1 Method for producing conjugated diene polymers JSR CORP (JP) 2003-12-03 EP disclosed
US-6391990-B1 Method of producing conjugated diene polymer JSR CORPORATION (JP) 2002-05-21 US disclosed
US-6255416-B1 POLYMERIZING CONJUGATED DIENE COMPOUND WITH CATALYST CONSISTING ESSENTIALLY OF COMPOUND CONTAINING RARE EARTH ELEMENT, ALUMOXANE, ORGANOALUMINUM COMPOUND, REACTION PRODUCT OF METAL HALIDE AND LEWIS BASE JSR CORPORATION (JP) 2001-07-03 US disclosed
EP-1026181-A1 Method of producing conjugated diene polymer JSR Corporation (JP) 2000-08-09 EP disclosed
EP-0957115-A1 Method for producing conjugated diene polymers JSR Corporation (JP) 1999-11-17 EP disclosed