SCHEMBL7770779

SCHEMBL7770779

C=COP(=O)(OCCCCC)OCCCCC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
LPAR3 Q9UBY5 8/20 0.48
LPAR2 Q9HBW0 6/20 0.48
LPAR1 Q92633 3/20 0.48
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CDC25A P30304 1/20 0.40
AGTR1 P30556 1/20 0.40
AKT1 P31749 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL17923958 0.96 CYP3A4 (0.56) CYP3A4LPAR3LPAR2LPAR1TSHR
Ammonia Solution, Strong SCHEMBL28058326 0.94 CYP3A4 (0.54) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL3891382 0.94 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL17923898 0.90 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL3629017 0.85 CYP3A4 (0.44) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL27509685 0.81 LPAR3 (0.51) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL17923993 0.81 CYP3A4 (0.44) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28816477 0.81 LPAR3 (0.55) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL56777 0.80 CYP3A4 (0.84) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28985855 0.79 LPAR3 (0.58) CYP3A4LPAR3LPAR2LPAR1

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
JP-2001507707-A 2001-06-12 JP claimed
EP-0948503-A1 PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE MONSANTO COMPANY (US) 1999-10-13 EP claimed
US-5861525-A Method for preparing cyanophosphonate derivatives from phosphate esters and cyanide MONSANTO COMPANY (US) 1999-01-19 US claimed
WO-1998029424-A1 PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE MONSANTO COMPANY (US) 1998-07-09 WO claimed
CN-112803067-B Electrolyte and lithium secondary battery comprising same 广州天赐高新材料股份有限公司 2023-02-24 CN disclosed
US-20220238909-A1 SECONDARY LITHIUM-ION BATTERY ELECTROLYTE SOLUTION FOR REDUCING BATTERY RESISTANCE AND SECONDARY LITHIUM-ION BATTERY THEREOF GUANGZHOU TINCI MATERIALS TECHNOLOGY CO., LTD. (CN) 2022-07-28 US disclosed
CN-110212235-B Lithium secondary battery electrolyte capable of reducing battery impedance and lithium secondary battery thereof 广州天赐高新材料股份有限公司 2022-04-08 CN disclosed
EP-3972024-A1 SECONDARY LITHIUM-ION BATTERY ELECTROLYTE FOR REDUCING BATTERY RESISTANCE AND SECONDARY LITHIUM-ION BATTERY THEREOF Guangzhou Tinci Materials Technology Co., Ltd. (CN) 2022-03-23 EP disclosed
CN-112803067-A Electrolyte and lithium secondary battery comprising same 广州天赐高新材料股份有限公司 2021-05-14 CN disclosed
EP-0948503-A1 PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE MONSANTO COMPANY (US) 1999-10-13 EP disclosed
US-5861525-A Method for preparing cyanophosphonate derivatives from phosphate esters and cyanide MONSANTO COMPANY (US) 1999-01-19 US disclosed
WO-1998029424-A1 PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE MONSANTO COMPANY (US) 1998-07-09 WO disclosed