SCHEMBL9625652

SCHEMBL9625652

CCCCCC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)CCCCC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
THRB P10828 1/20 0.37
FDPS P14324 11/20 0.34
GGPS1 O95749 7/20 0.34
SMPD1 P17405 4/20 0.34
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 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
SCHEMBL297925 0.97 TSHR (0.39) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL9576868 0.94 TSHR (0.44) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL7445172 0.94 TSHR (0.44) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL9850241 0.90 TSHR (0.38) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL9625864 0.90 TSHR (0.33) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL8901964 0.90 TSHR (0.40) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL8039291 0.88 TSHR (0.35) TSHRTHRBFDPS
SCHEMBL23152664 0.87 TSHR (0.38) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL8056144 0.87 TSHR (0.38) TSHRTHRBFDPSGGPS1SMPD1
SCHEMBL3677688 0.87 TSHR (0.38) TSHRTHRBFDPSGGPS1SMPD1

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
EP-0273090-B1 SOLUTION POLYMERIZATION OF ACRYLIC ACID DERIVED MONOMERS USING TERTIARY ALKYL( C5)-HYDROPEROXIDES ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1992-03-18 EP disclosed
US-4777230-A HIGH SOLID COATINGS PENNWALT CORPORATION (US) 1988-10-11 US disclosed
EP-0273090-A1 Solution polymerization of acrylic acid derived monomers using tertiary alkyl( C5)-hydroperoxides ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1988-07-06 EP disclosed
US-4483784-A SIZING COMPOSITION WITH EMULSIFIERS AND LUBRICANTS PPG INDUSTRIES, INC. (US) 1984-11-20 US disclosed