SCHEMBL8994040

SCHEMBL8994040

OP(=S)(Cl)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.48
ESR2 Q92731 2/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CFTR P13569 1/20 0.42
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL4926349 0.77 CA2 (0.52) ESR1ESR2CA2CA4CA5A
SCHEMBL726307 0.77 ESR1 (0.46) ESR1ESR2CA2CA4CA5A
SCHEMBL2502559 0.77 ESR1 (0.46) ESR1ESR2CA2CA4CA5A
SCHEMBL433204 0.77 CA2 (0.52) ESR1ESR2CA2CA4CA5A
SCHEMBL11144247 0.76 LMNA (0.42) ESR1ESR2CA2ALOX15TSHR
Hydrochloric Acid SCHEMBL4656194 0.74 ESR1 (0.50) ESR1ESR2CA2CA4CA5A
SCHEMBL56861 0.74 CA2 (0.65) ESR1CA2CA4CA5ACFTR
Biphenyl SCHEMBL1913601 0.74 ALDH1A1 (0.53) ESR1ESR2CA2CA4CA5A
SCHEMBL11145389 0.72 ESR1 (0.42) ESR1ESR2CA2CA4CA5A
Phosphine SCHEMBL28874033 0.72 ESR1 (0.48) ESR1ESR2CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214591-A2 Process for the preparation of bifunctional tertiary aromatic phosphanoxides HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-18 EP claimed
US-5502190-A DEHYDROHALOGENATION IN THE PRESENCE OF PHASE TRANSFER CATALYST, SOLVENT AND ALKALI METAL HYDROXIDE BAYER CORPORATION (US) 1996-03-26 US disclosed
US-5120846-A Process for preparing phosphorothioates and phosphonoates in a three-phase system DOWELANCO (US) 1992-06-09 US disclosed
US-4816605-A Process for the preparation of bifunctional tertiary aromatic phosphine oxides HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-28 US disclosed
US-4814448-A TERT-AMINE CATALYST, NONIONIC SURFACTANT THE DOW CHEMICAL COMPANY (US) 1989-03-21 US disclosed
US-4814451-A Process for preparing phosphorothioates and phosphates and phosphonothioates and phosphonates THE DOW CHEMICAL COMPANY (US) 1989-03-21 US disclosed
EP-0214591-A2 Process for the preparation of bifunctional tertiary aromatic phosphanoxides HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-18 EP disclosed
US-4444764-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1984-04-24 US disclosed
EP-0023841-B1 5 PYRIMIDINOL PHOSPHORUS ESTERS, AND METHODS FOR THEIR MANUFACTURE, COMPOSITIONS CONTAINING THOSE ESTERS AND THEIR USE AS PESTICIDES THE DOW CHEMICAL COMPANY (US) 1984-03-21 EP disclosed
US-4147866-A Process for preparing phosphorothioates and phenylphosphonothioates THE DOW CHEMICAL COMPANY (US) 1979-04-03 US disclosed
US-4028439-A QUATERNARY AMMONIUM SALT AND IMIDAZOLE CATALYSTS THE DOW CHEMICAL COMPANY (US) 1977-06-07 US disclosed
US-4028439-A QUATERNARY AMMONIUM SALT AND IMIDAZOLE CATALYSTS THE DOW CHEMICAL COMPANY (US) 1977-06-07 US disclosed
US-4016225-A WITH QUATERNARY AMMONIUM SALT AND 1,4-DIAZABICYCLO(2.2.2)OCTANE CATALYST THE DOW CHEMICAL COMPANY (US) 1977-04-05 US disclosed
US-4016225-A WITH QUATERNARY AMMONIUM SALT AND 1,4-DIAZABICYCLO(2.2.2)OCTANE CATALYST THE DOW CHEMICAL COMPANY (US) 1977-04-05 US disclosed
US-4007197-A QUATERNARY AMMONIUM OR PHOSPHONIUM SALT AND TERTIARY AMINE CATALYST THE DOW CHEMICAL COMPANY (US) 1977-02-08 US disclosed
US-4007197-A QUATERNARY AMMONIUM OR PHOSPHONIUM SALT AND TERTIARY AMINE CATALYST THE DOW CHEMICAL COMPANY (US) 1977-02-08 US disclosed
US-3972887-A QUATERNARY AMMONIUM SALT CATALYST THE DOW CHEMICAL COMPANY (US) 1976-08-03 US disclosed
US-3972887-A QUATERNARY AMMONIUM SALT CATALYST THE DOW CHEMICAL COMPANY (US) 1976-08-03 US disclosed
US-3917621-A Process for preparing phosphorothioates and phenylphosphonothioates DOW CHEMICAL CO 1975-11-04 US disclosed
US-3907815-A Process for preparing phosphorothioates and phenylphosphonothioates DOW CHEMICAL CO 1975-09-23 US disclosed