SCHEMBL272121

SCHEMBL272121

CCCCc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL1958089 1.00 TRPV1 (0.48) TRPV1ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL8151307 0.94 ENPP2 (0.51)
SCHEMBL2131189 0.94 ENPP2 (0.51)
SCHEMBL2132932 0.94 ENPP2 (0.51)
SCHEMBL3919113 0.94 ENPP2 (0.51)
SCHEMBL1548161 0.94 ENPP2 (0.51)
SCHEMBL1592698 0.93 CYP3A4 (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL381597 0.90 L3MBTL1 (0.47) L3MBTL1CYP3A4TSHR
SCHEMBL1960392 0.90 L3MBTL1 (0.47) L3MBTL1CYP3A4TSHR
SCHEMBL11063981 0.88 ENPP2 (0.54) ALDH1A1HSD17B10CYP3A4TSHR

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 555 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997884-B Metal working oil composition and method for producing metal sheet laminate 出光兴产株式会社 2023-06-20 CN claimed
CN-109477014-B Refrigerator oil and composition for refrigerator 出光兴产株式会社 2022-11-01 CN claimed
CN-105238360-B Working fluid composition for refrigerator and refrigerator oil 吉坤日矿日石能源株式会社 2020-05-05 CN claimed
EP-3455290-A1 COMPOSITIONS CONTAINING CARBODIIMIDE, ESTER AND PVC, PRODUCTION AND USE THEREOF LANXESS Deutschland GmbH (DE) 2019-03-20 EP claimed
EP-2835415-B1 REFRIGERATOR WORKING FLUID COMPOSITION AND REFRIGERANT OIL JX NIPPON OIL & ENERGY CORP (JP) 2018-05-09 EP claimed
WO-2018075505-A1 OXAZOLINE ANTI-CONDENSATION COMPOSITIONS, LAMINATES, AND PROCESSES FOR MAKING THE SAME CELANESE INTERNATIONAL CORPORATION (US) 2018-04-26 WO claimed
US-20180105661-A1 OXAZOLINE ANTI-CONDENSATION COMPOSITIONS, LAMINATES, AND PROCESSES FOR MAKING THE SAME CELANESE INTERNATIONAL CORPORATION 2018-04-19 US claimed
EP-1194274-B1 PROCESS FOR THREE-DIMENSIONAL MODELING STRATASYS INC (US) 2017-03-22 EP claimed
US-9562182-B2 Refrigerator working fluid composition and refrigerant oil JX NIPPON OIL & ENERGY CORPORATION (JP) 2017-02-07 US claimed
US-20150115194-A1 REFRIGERATOR WORKING FLUID COMPOSITION AND REFRIGERANT OIL JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-04-30 US claimed
US-20040014830-A1 Composition for use in flexible polyurethane foams FERRO CORPORATION (US) 2004-01-22 US claimed
EP-1194274-A1 SOLUBLE MATERIAL AND PROCESS FOR THREE-DIMENSIONAL MODELING STRATASYS, INC. (US) 2002-04-10 EP claimed
WO-2000073368-A1 COMPOSITION FOR USE IN FLEXIBLE POLYURETHANE FOAMS SOLUTIA INC. (US) 2000-12-07 WO claimed
WO-2000062994-A1 SOLUBLE MATERIAL AND PROCESS FOR THREE-DIMENSIONAL MODELING STRATASYS, INC. (US) 2000-10-26 WO claimed
EP-1036143-A1 PHOSPHATE LUBRICANT COMPOSITIONS AND METAL FORMING USE FMC CORPORATION (US) 2000-09-20 EP claimed
WO-1999027040-A1 PHOSPHATE LUBRICANT COMPOSITIONS AND METAL FORMING USE GREAT LAKES CHEMICAL CORPORATION (US) 1999-06-03 WO claimed
US-5624968-A Flexible water-blown polyurethane foams MONSANTO COMPANY (US) 1997-04-29 US claimed
EP-0646154-A1 FLEXIBLE WATER-BLOWN POLYURETHANE FOAMS MONSANTO COMPANY (US) 1995-04-05 EP claimed
US-5232956-A Of a polyol and diphenylmethane diisocyanate, and a phthalate, benzoate or phosphate ester plasticizer MONSANTO COMPANY (US) 1993-08-03 US claimed
WO-1993003090-A1 FLEXIBLE WATER-BLOWN POLYURETHANE FOAMS MONSANTO COMPANY (US) 1993-02-18 WO claimed