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
SCHEMBL1548161 0.94 ENPP2 (0.51) —
SCHEMBL8151307 0.94 ENPP2 (0.51) —
SCHEMBL2132932 0.94 ENPP2 (0.51) —
SCHEMBL2131189 0.94 ENPP2 (0.51) —
SCHEMBL3919113 0.94 ENPP2 (0.51) —
SCHEMBL1592698 0.93 CYP3A4 (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL1960392 0.90 L3MBTL1 (0.47) L3MBTL1CYP3A4TSHR
SCHEMBL381597 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
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