SCHEMBL20530992

SCHEMBL20530992

CCC(=CCCOP(=O)(O)O)CC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.47
LPAR2 Q9HBW0 7/20 0.46
LPAR1 Q92633 5/20 0.46
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
ENPP2 Q13822 1/20 0.36
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR2 O95136 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSPO P30536 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
BTN3A1 O00481 1/20 0.33
LPAR5 Q9H1C0 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
SCHEMBL9066474 0.78 FNTA (0.47) LPAR3LPAR2LPAR1FNTAFNTB
SCHEMBL1157271 0.74 LPAR3 (0.44) LPAR3LPAR2LPAR1ENPP2BTN3A1
SCHEMBL12478462 0.73
SCHEMBL27042274 0.72 LPAR3 (0.57) LPAR3LPAR2LPAR1ENPP2
SCHEMBL831184 0.72 LPAR3 (0.41) LPAR3LPAR2LPAR1FNTAFNTB
SCHEMBL721089 0.72 LPAR3 (0.41) LPAR3LPAR2LPAR1FNTAFNTB
SCHEMBL4424102 0.70
SCHEMBL20506749 0.70 FNTA (0.68) FNTAFNTBBTN3A1
SCHEMBL28914620 0.70 LPAR3 (0.50) LPAR3LPAR2LPAR1FNTAFNTB
SCHEMBL11869618 0.69 LPAR3 (0.40) LPAR3LPAR2LPAR1ENPP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602933-B Polyurethane foams based on polyether carbonate polyols 科思创德国股份有限公司 2021-10-22 CN claimed
EP-3387035-A1 POLYURETHANE FOAMS BASED ON POLYETHERCARBONATE POLYOLS Covestro Deutschland AG (DE) 2018-10-17 EP claimed
CN-108602933-A Polyurethane foamed material based on polyether carbonate polyol 科思创德国股份有限公司 2018-09-28 CN claimed
CN-108602933-B Polyurethane foams based on polyether carbonate polyols 科思创德国股份有限公司 2021-10-22 CN disclosed
CN-111757902-A Method for producing polyether carbonate polyols 科思创知识产权两合公司 2020-10-09 CN disclosed
EP-3387035-A1 POLYURETHANE FOAMS BASED ON POLYETHERCARBONATE POLYOLS Covestro Deutschland AG (DE) 2018-10-17 EP disclosed
CN-108602933-A Polyurethane foamed material based on polyether carbonate polyol 科思创德国股份有限公司 2018-09-28 CN disclosed