SCHEMBL3764241

SCHEMBL3764241

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.51
CA1 P00915 3/20 0.38
NFKB1 P19838 1/20 0.37
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
FABP3 P05413 5/20 0.32

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
SCHEMBL3771040 0.87 CA2 (0.49) CA2CA1NFKB1TSHRCYP3A4
SCHEMBL3779276 0.87 CA2 (0.51) CA2CA1NFKB1TSHRCYP3A4
SCHEMBL3769934 0.87 CA2 (0.51) CA2CA1NFKB1TSHRCYP3A4
SCHEMBL6682233 0.87 CA2 (0.51) CA2CA1NFKB1TSHRCYP3A4
SCHEMBL18954912 0.85 CA2 (0.58) CA2CA1NFKB1TSHRCYP3A4
SCHEMBL3764830 0.85 CA2 (0.49) CA2CA1NFKB1TSHRCYP3A4
SCHEMBL6680820 0.85 CA2 (0.49) CA2CA1NFKB1TSHRCYP3A4
SCHEMBL6684468 0.85 CA2 (0.49) CA2CA1NFKB1TSHRCYP3A4
SCHEMBL3679524 0.82 CA1 (0.43) CA2CA1NFKB1GPR84FABP3
SCHEMBL3775649 0.81 CA2 (0.45) CA2TSHRCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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