SCHEMBL2049006

SCHEMBL2049006

CCCCCCCCCCOC(C)OP(=O)(OC(C)OCCCCCCCCCC)OC(C)OCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 5/20 0.44
LPAR1 Q92633 4/20 0.44
LPAR2 Q9HBW0 2/20 0.44
DNM1 Q05193 1/20 0.42
TRPM8 Q7Z2W7 5/20 0.41
SMPD1 P17405 3/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2048389 1.00 LPAR3 (0.44) LPAR3LPAR1LPAR2DNM1TRPM8
SCHEMBL4250513 1.00 LPAR3 (0.44) LPAR3LPAR1LPAR2DNM1TRPM8
SCHEMBL2049552 0.98 CYP3A4 (0.41) LPAR3LPAR1LPAR2DNM1TRPM8
SCHEMBL37267 0.92 CYP3A4 (0.48) LPAR3LPAR1TRPM8CYP3A4
SCHEMBL5674997 0.89 CYP3A4 (0.53) LPAR3LPAR1LPAR2CYP3A4
SCHEMBL4242513 0.85 LPAR3 (0.55) LPAR3LPAR1LPAR2SMPD1
SCHEMBL2048392 0.85 LPAR3 (0.55) LPAR3LPAR1LPAR2SMPD1
SCHEMBL18139522 0.85 LPAR3 (0.55) LPAR3LPAR1LPAR2SMPD1
SCHEMBL2521045 0.85 LPAR3 (0.50) LPAR3LPAR1LPAR2SMPD1
SCHEMBL18141137 0.85 LPAR3 (0.55) LPAR3LPAR1LPAR2SMPD1

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
CN-106414538-B Composition for producing transparent polythiourethane bodies 科思创德国股份有限公司 2020-02-28 CN disclosed
EP-2571914-A1 A POLYMERIZATION CATALYST FOR POLYTHIOURETHANES, POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC POLYTHIOURETHANE GLASS WITH A HIGH REFRACTIVE INDEX Mitsui Chemicals, Inc. (JP) 2013-03-27 EP disclosed
WO-2011144995-A1 A POLYMERIZATION CATALYST FOR POLYTHIOURETHANES, POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC POLYTHIOURETHANE GLASS WITH A HIGH REFRACTIVE INDEX ACOMON AG (CH) 2011-11-24 WO disclosed
EP-2337805-A1 POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC GLASS STARTING FROM POLYMERIZABLE LIQUID COMPOSITIONS OF THE POLYURETHANE TYPE ACOMON AG (CH) 2011-06-29 EP disclosed
WO-2010043392-A1 POLYMERIZABLE LIQUID COMPOSITION AND PROCESS FOR THE PRODUCTION OF ORGANIC GLASS STARTING FROM POLYMERIZABLE LIQUID COMPOSITIONS OF THE POLYURETHANE TYPE ACOMON AG (CH) 2010-04-22 WO disclosed