O,O-Diethyl S-Hydrogen Phosphorothioate

O,O-Diethyl S-Hydrogen Phosphorothioate

SCHEMBL8429419

CCOP(O)(=S)OCC.N

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.39
TSHR P16473 5/20 0.38
LPAR2 Q9HBW0 3/20 0.37
LPAR3 Q9UBY5 3/20 0.37
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL600183 0.97
O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL4585075 0.94 PPARD (0.39) PPARDTSHRLPAR2LPAR3TDP1
O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL1502086 0.94 PPARD (0.39) PPARDTSHRLPAR2LPAR3TDP1
O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL28187474 0.88 POLB (0.36) PPARDTSHRLPAR2LPAR3ALDH1A1
O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL28542642 0.88 TSHR (0.38) PPARDTSHRLPAR2LPAR3TDP1
O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL28537561 0.86 TSHR (0.36) PPARDTSHRLPAR2LPAR3TDP1
O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL28537563 0.86 TSHR (0.36) PPARDTSHRLPAR2LPAR3TDP1
SCHEMBL11597869 0.84 LPAR3 (0.41) PPARDTSHRLPAR2LPAR3TDP1
O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL7784856 0.84 CYP2C9 (0.33) PPARDTSHRLPAR2LPAR3TDP1
O,O-Diethyl S-Hydrogen Phosphorothioate SCHEMBL27987724 0.83 LPAR3 (0.42) PPARDLPAR2LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11181469-A None JP disclosed
US-12312343-B2 Rotomeric isomers of 4-alkyl-5-heteroaryl-3H-1,2-dithiole-3-thiones ST IP HOLDING AG (CH) 2025-05-27 US disclosed
EP-3853223-B1 ROTOMERIC ISOMERS OF 4-ALKYL-5-HETEROARYL-3H-1,2- DITHIOLE-3-THIONES ST IP HOLDING AG (CH) 2025-01-01 EP disclosed
CN-117820371-A Method for esterification of azanaphthalene ring-C2-thiophosphoric acid 湖南科技学院 2024-04-05 CN disclosed
US-20230255961-A1 Rotomeric Isomers of 4-Alkyl-5-Heteroaryl-3H-1,2-Dithiole-3-Thiones ZPNE GROUP GMBH (CH) 2023-08-17 US disclosed
CN-113694068-A Rotamers of 4-alkyl-5-heteroaryl-3H-1, 2-dithiole-3-thiones ST知识产权控股公司 2021-11-26 CN disclosed
EP-3853223-A1 ROTOMERIC ISOMERS OF 4-ALKYL-5-HETEROARYL-3H-1,2- DITHIOLE-3-THIONES ST IP Holding AG (CH) 2021-07-28 EP disclosed
CN-113166127-A Rotamers of 4-alkyl-5-heteroaryl-3H-1, 2-dithiole-3-thiones ST知识产权控股公司 2021-07-23 CN disclosed
US-20210206751-A1 Rotomeric Isomers of 4-alkyl-5-Heteroaryl-3H-1,2-Dithiole-3-Thiones SUPPORTIVE THERAPEUTICS AG (CH) 2021-07-08 US disclosed
WO-2020058767-A1 ROTOMERIC ISOMERS OF 4-ALKYL-5-HETEROARYL-3H-1,2- DITHIOLE-3-THIONES ST IP HOLDING AG (CH) 2020-03-26 WO disclosed
JP-H11181469-A COLD-ROLLING OIL SUMITOMO METAL IND LTD 1999-07-06 JP disclosed
US-5641888-A Synthesis of an O,O' -diesters of thiophosphoric acid, an O-ester of thiophosphonic acid, or a thiophosphinic acid BAYER AKTIENGESELLSCHAFT (DE) 1997-06-24 US disclosed
EP-0723968-A2 Process for the preparation of thiophosphoric acid 0,0'-diesters and their salts as well as their preparation BAYER AG (DE) 1996-07-31 EP disclosed
EP-0114055-B1 THIOPHOSPHORIC ACID ESTERS BASF Aktiengesellschaft (DE) 1986-11-12 EP disclosed
EP-0001753-B1 THIOPHOSPHORIC(PHOSPHONIC) ACID ESTERS, PROCESS FOR THEIR PREPARATION AND USE AS PESTICIDES BASF Aktiengesellschaft (DE) 1980-12-10 EP disclosed
US-4210592-A INSECTICIDES, MITICIDES MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 1980-07-01 US disclosed
US-4203977-A PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
EP-0001753-A1 Thiophosphoric(phosphonic) acid esters, process for their preparation and use as pesticides BASF Aktiengesellschaft (DE) 1979-05-16 EP disclosed
US-3962431-A Insecticidal use of O,O-dialkyl phosphorodithioate and phosphorothioate esters of oxazolidine-2,4-dione derivatives HERCULES INCORPORATED (US) 1976-06-08 US disclosed
US-3948944-A INSECTICIDES, NEMATOCIDES, MITICIDES VALINT JR PAUL L 1976-04-06 US disclosed