SCHEMBL3401710

SCHEMBL3401710

C=CC(=O)OC(O)CCC.CC(=O)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 4/20 0.34
THRB P10828 2/20 0.33
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL26503 0.91 TSHR (0.44) TSHRHPGDALDH1A1THRBCYP3A4
SCHEMBL27143080 0.89 TSHR (0.42) TSHRHPGDALDH1A1THRBCYP3A4
SCHEMBL21693941 0.86 TSHR (0.37) TSHRHPGDALDH1A1THRBCYP3A4
SCHEMBL9333707 0.86 TSHR (0.40) TSHRHPGDALDH1A1THRBCYP3A4
Phosphoric Acid SCHEMBL28457487 0.84 TSHR (0.39) TSHRHPGDALDH1A1THRBCYP3A4
SCHEMBL2283957 0.84 TSHR (0.40) TSHRHPGDALDH1A1THRBCYP3A4
Allyl Alcohol SCHEMBL9853356 0.84 TSHR (0.39) TSHRHPGDALDH1A1THRBCYP3A4
SCHEMBL9840052 0.83 TSHR (0.36) TSHRHPGDALDH1A1THRB
SCHEMBL1123116 0.80 TSHR (0.53) TSHRHPGDALDH1A1THRBCYP3A4
SCHEMBL21084615 0.80 TSHR (0.34) TSHRHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856850-A1 FAST DRYING WATERBORNE COATINGS Lubrizol Advanced Materials, Inc. (US) 2021-08-04 EP disclosed
WO-2020068890-A1 FAST DRYING WATERBORNE COATINGS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2020-04-02 WO disclosed
EP-2247633-A1 AQUEOUS POLYURETHANE HYBRID COMPOSITIONS Lubrizol Advanced Materials, Inc. (US) 2010-11-10 EP disclosed
WO-2009105396-A1 AQUEOUS POLYURETHANE HYBRID COMPOSITIONS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2009-08-27 WO disclosed
US-3939095-A PHENYLINDANES, ADDITION COPOLYMERS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed