SCHEMBL6313359

SCHEMBL6313359

CCCCC(CC)COP(=O)(O)OP(=O)(O)O.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LPAR3 Q9UBY5 4/20 0.49
LPAR1 Q92633 3/20 0.49
TSHR P16473 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.40
CA2 P00918 2/20 0.40
FDPS P14324 1/20 0.39
RECQL P46063 1/20 0.38
SMPD1 P17405 3/20 0.38
BTN3A1 O00481 1/20 0.38
LPAR2 Q9HBW0 2/20 0.37

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
SCHEMBL1123673 0.98 CYP3A4 (0.64) CYP3A4L3MBTL1LPAR3LPAR1TSHR
SCHEMBL9353575 0.97 CYP3A4 (0.58) CYP3A4L3MBTL1LPAR3LPAR1TSHR
SCHEMBL6312852 0.97 CYP3A4 (0.62) CYP3A4L3MBTL1LPAR3LPAR1TSHR
SCHEMBL852624 0.95 CYP3A4 (0.60) CYP3A4L3MBTL1LPAR3LPAR1TSHR
Pyrophosphoric Acid SCHEMBL27789794 0.92 CYP3A4 (0.64) CYP3A4L3MBTL1LPAR3LPAR1TSHR
SCHEMBL1123667 0.92 CYP3A4 (0.68) CYP3A4L3MBTL1LPAR3LPAR1TSHR
SCHEMBL27753378 0.90 CYP3A4 (0.70) CYP3A4L3MBTL1TSHRATMTDP1
SCHEMBL28233975 0.88 CYP3A4 (0.68) CYP3A4L3MBTL1TSHRATMTDP1
Water SCHEMBL28273792 0.88 CYP3A4 (0.68) CYP3A4L3MBTL1TSHRATMTDP1
Hydrochloric Acid SCHEMBL28330346 0.88 CYP3A4 (0.68) CYP3A4L3MBTL1TSHRATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1896148-A Preparation of pyrolized silicon oxide encapsulated titanium oxide powders treated with organic additives DU PONT (US) 2007-01-17 CN disclosed
US-6841061-B1 Antigelling agent for hydrocarbon mixture containing conjugated diene and method of preventing clogging of apparatus for separating and purifying the mixture ZEON CORPORATION (JP) 2005-01-11 US disclosed
US-6770222-B1 HYDROXYLAMINES AND PHOSPHORUS CONTAINING COMPOUND NIPPON ZEON CO., LTD. (JP) 2004-08-03 US disclosed
EP-1184444-A1 ANTIGELLING AGENT FOR HYDROCARBON MIXTURE CONTAINING CONJUGATED DIENE AND METHOD OF PREVENTING CLOGGING OF APPARATUS FOR SEPARATING AND PURIFYING THE MIXTURE Nippon Zeon Co., Ltd. (JP) 2002-03-06 EP disclosed
EP-1061059-A1 POLYMERIZATION-INHIBITING COMPOSITION, POLYMERIZATION INHIBITOR AND METHOD FOR INHIBITING POLYMERIZATION NIPPON ZEON CO., LTD. (JP) 2000-12-20 EP disclosed
US-5756780-A EPOXIDATION OF CYCLOHEXENYL METHYL (METH)ACRYLATE WITH AN ORGANIC PERACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-26 US disclosed
EP-0529197-B1 A process for the preparation of a purified 3,4-epoxycyclohexyl-methyl (meth)acrylate . DAICEL CHEM (JP) 1998-01-07 EP disclosed
EP-0741135-A2 6H-Dibenz(c,e)(1,2)oxaphosphorin-6-oxide derivatives for the stabilisation of 3,4-epoxycyclohexylmethyl (meth)acrylate DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-11-06 EP disclosed
US-5446176-A Having low polymer content DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-29 US disclosed
US-5426193-A Excellent color resistance from blending with organic phosphorous compound DAICEL CHEMICAL INDUSTRIES, INC. (JP) 1995-06-20 US disclosed
US-5382676-A Epoxidation of cyclohexenyl methacrylate with peracetic acid, aqueous extraction DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-17 US disclosed
EP-0529197-A1 A process for the preparation of a purified 3,4-epoxycyclohexyl-methyl (meth)acrylate and a stabilised composition thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed