SCHEMBL7638864

SCHEMBL7638864

c1cc(C2CO2)c(C2CO2)cc1C1CO1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ PARP1 P09874 1/20 0.44
▸ GSTO1 P78417 1/20 0.39
▸ PTPN1 P18031 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ CHRM2 P08172 2/20 0.30
▸ ADRA2A P08913 3/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 1/20 0.30

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
SCHEMBL17141368 0.80 TSHR (0.41) TSHRPARP1GSTO1CHRM2CHRM4
SCHEMBL46283 0.77 TSHR (0.67) TSHRPARP1GSTO1PTPN1ALOX5
SCHEMBL14753779 0.76 GSTO1 (0.40) TSHRPARP1GSTO1CHRM2CHRM4
SCHEMBL14749897 0.76 PARP1 (0.41) TSHRPARP1GSTO1CHRM2DRD3
SCHEMBL16641133 0.75 TSHR (0.39) TSHRPARP1GSTO1
SCHEMBL37732 0.71 TSHR (0.57) TSHRPARP1CHRM2ADRA2ACHRM4
SCHEMBL16641062 0.71 TSHR (0.38) TSHR
SCHEMBL24424975 0.70 TSHR (0.55) TSHRPARP1GSTO1PTPN1ALOX5
SCHEMBL871294 0.70 TSHR (0.55) TSHRPARP1GSTO1PTPN1ALOX5
SCHEMBL4296907 0.70 ALOX5 (0.62) TSHRPARP1GSTO1PTPN1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362264-B1 MIXTURE CONTAINING ZINC CARBOXYLATE, THIODIPROPIONIC ACID AND PHENOLIC ANTIOXIDANT CK WITCO CORPORATION 2002-03-26 — — US disclosed
EP-0849314-A1 Stabilizer for food contact and medical grade PVC WITCO CORPORATION (US) 1998-06-24 — — EP disclosed
US-4348308-A IMPROVING COLOR STABILITY OF VINYL CHLORIDE POLYMERS ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1982-09-07 — — US disclosed
US-4282141-A DISCOLORATION INHIBITION FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-08-04 — — US disclosed
EP-0028268-A1 Stabilizer composition comprising a thio-1,3-dicarbonyl compound and a heat stabilizer, and vinyl halide polymer composition stabilized therewith S.A. Diamond Shamrock Benelux N.V. (BE) 1981-05-13 — — EP disclosed
US-4252698-A A OVERBASED SULFONATE OR PHENOLATE, AND A 1,3-DIKETONE FOR VINYL CHLORIDE POLYMERS ARGUS CHEMICAL CORPORATION (US) 1981-02-24 — — US disclosed
US-4221687-A BASIC INORGANIC SALT, 1,3-DIKETONE, VINYL CHLORIDE POLYMER ARGUS CHEMICAL CORP. (US) 1980-09-09 — — US disclosed
US-4217258-A THIOCARBONYL COMPOUND, ALKYLTIN COMPOUND, METAL CARBOXYLATE, HYDROCARBYLPHENOL ARGUS CHEMICAL CORP. (US) 1980-08-12 — — US disclosed
Send feedback