SCHEMBL4610941

SCHEMBL4610941

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TSHR P16473 7/20 0.35
TP53 P04637 4/20 0.35
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
DGAT1 O75907 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 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
SCHEMBL17728154 0.93 TSHR (0.46) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL28292945 0.93 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1ACYP3A4
Acetone SCHEMBL28320511 0.93 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL28051179 0.93 TSHR (0.39) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL30658 0.93
Ammonia Solution, Strong SCHEMBL1707597 0.90 TSHR (0.38) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL29167478 0.90 TSHR (0.38) ALDH1A1TSHRTP53HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL1020874 0.90 TSHR (0.38) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL31210190 0.90 TSHR (0.38) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL28881367 0.90 TSHR (0.38) ALDH1A1TSHRTP53HIF1ACYP3A4

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-1732955-B1 METHOD OF MAKING COPOLYMERS CONTAINING OLEFINIC TYPE MONOMERS PPG IND OHIO INC (US) 2008-10-22 EP disclosed
US-7323529-B2 Method of making copolymers containing olefinic type monomers PP6 INDUSTRIES OHIO, INC. (US) 2008-01-29 US disclosed
EP-1732955-A2 METHOD OF MAKING COPOLYMERS CONTAINING OLEFINIC TYPE MONOMERS PPG Industries Ohio, Inc. (US) 2006-12-20 EP disclosed
WO-2005054305-A2 METHOD OF MAKING COPOLYMERS CONTAINING OLEFINIC TYPE MONOMERS PPG INDUSTRIES OHIO, INC. (US) 2005-06-16 WO disclosed
US-20050113515-A1 Method of making copolymers containing olefinic type monomers PPG INDUSTRIES OHIO, INC. 2005-05-26 US disclosed