SCHEMBL4626543

SCHEMBL4626543

O=P(O)(O)OCCC(Cl)(Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
TSHR P16473 2/20 0.38
PGK1 P00558 2/20 0.38
PGK2 P07205 2/20 0.38
SRC P12931 1/20 0.37
CYP1A2 P05177 1/20 0.37
KCNN4 O15554 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
FDPS P14324 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
CFTR P13569 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21714562 0.82 PTPN1 (0.42) PTPN1TSHRPGK1PGK2SRC
SCHEMBL23322503 0.79 TAAR1 (0.41) PTPN1TSHRSRCKCNN4CYP2C19
SCHEMBL11126905 0.76 KIF11 (0.47) PTPN1TSHRSRCCYP2C9CYP2C19
SCHEMBL11128928 0.73 LPAR3 (0.44) PTPN1
SCHEMBL5550272 0.72 KIF11 (0.50)
SCHEMBL28067148 0.71 LPAR3 (0.39) PGK1PGK2CYP2C19
SCHEMBL11037016 0.71 KIF11 (0.49) PTPN1TSHRSRCKCNN4FDPS
Chlorotriphenylmethane SCHEMBL28104984 0.71 TSHR (0.58) PTPN1TSHRSRCCYP1A2CYP2C9
SCHEMBL207306 0.71 LPAR3 (0.41) PGK1PGK2CYP2C19FDPS
SCHEMBL11122219 0.71 PTPN1 (0.45) PTPN1TSHRPGK1PGK2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1293500-B1 Method for preparation of acrylonitrile solutions of maleimides NIPPON CATALYTIC CHEM IND (JP) 2008-06-11 EP disclosed
US-6733693-B1 LOWERING THE WATER CONTENT IN THE ACRYLONITRILE SOLUTION NIPPON SHOKUBAI CO., LTD. (JP) 2004-05-11 US disclosed
EP-0768300-B1 Acrylonitrile solutions of maleimides NIPPON CATALYTIC CHEM IND (JP) 2003-05-07 EP disclosed
EP-1293500-A2 Method for preparation of acrylonitrile solutions of maleimides Nippon Shokubai Co., Ltd. (JP) 2003-03-19 EP disclosed
EP-0790334-B1 Easily dyeable meta-linkage-containing aromatic polyamide fibres TEIJIN LTD (JP) 2000-09-27 EP disclosed
US-5993687-A MANIFESTING TRANSPARENCY, PRECLUDING COLORATION AND OPACIFICATION DURING THE COURSE OF HANDLING, AND EXCELLING IN STABILITY; CONTAINING ALKYL-SUBSTITUTED PHENOL OR HINDERED PHENOLS AND A PHOSPHITE, PHOSPHATE, PHOSPHINE OR PHOSPHORAMIDE NIPPON SHOKUBAI, LTD. (JP) 1999-11-30 US disclosed
US-5852087-A Easily dyeable meta-linkage-containing aromatic polyamide fibers TEIJIN LIMITED (JP) 1998-12-22 US disclosed
EP-0790334-A1 Easily dyeable meta-linkage-containing aromatic polyamide fibres TEIJIN LIMITED (JP) 1997-08-20 EP disclosed
EP-0768300-A1 Acrylonitrile solutions of maleimides, method for preparation thereof, and acrylonitrile based copolymers obtained by use of the solutions NIPPON SHOKUBAI CO., LTD. (JP) 1997-04-16 EP disclosed
US-3985661-A LUBRICANT-ABSORBING POWDER CARRIER SUMITOMO ELECTRIC INDUSTRIES, LTD. (JA) 1976-10-12 US disclosed