SCHEMBL4244326

SCHEMBL4244326

C=CCOC(=O)CC(C(=O)OCC=C)S(=O)(=O)O.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL568267 1.00 RECQL (0.41) RECQLTDP1TSHRNPSR1CYP3A4
SCHEMBL87406 0.98 RECQL (0.42) RECQLTDP1TSHRNPSR1CYP3A4
Ammonia Solution, Strong SCHEMBL10978983 0.96 RECQL (0.41) RECQLTDP1TSHRNPSR1CYP3A4
SCHEMBL2869403 0.90 RECQL (0.43) RECQLTDP1TSHRNPSR1CYP3A4
SCHEMBL8950000 0.90 RECQL (0.43) RECQLTDP1TSHRNPSR1CYP3A4
SCHEMBL4962702 0.88 RECQL (0.44) RECQLTDP1TSHRNPSR1CYP3A4
SCHEMBL10816538 0.88 TDP1 (0.37) RECQLTDP1TSHRMAPTCACNA1B
SCHEMBL28963935 0.88 RECQL (0.36) RECQLTDP1TSHRSMN1; SMN2PKM
SCHEMBL19731034 0.86 RECQL (0.39) RECQLTDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL27662775 0.86 TDP1 (0.41) RECQLTDP1TSHRNPSR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118147-A1 LOW VOLATILE ORGANIC CONTENT LUBRICANT TEXAS RESEARCH INTERNATIONAL, INC. 2009-05-07 US disclosed
US-7524797-B1 Low volatile organic content lubricant TEXAS RESEARCH INTERNATIONAL, INC. (US) 2009-04-28 US disclosed
US-6794049-B2 AMBIENT OXIDATIVE CURE, HAVING LOW VOLATILE ORGANIC COMPOUND (VOC) CONTENT EASTMAN CHEMICAL COMPANY 2004-09-21 US disclosed
US-20030195304-A1 Fast-dry, high solids coating compositions based on acetoacetate-functionalized alkyd resins HEXION INC. 2003-10-16 US disclosed