SCHEMBL7828576

SCHEMBL7828576

O=C(O)C(O)Sc1cc(Cl)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 3/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
KMO O15229 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TERT O14746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.37
PLA2G1B P04054 1/20 0.37

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
Hydrochloric Acid SCHEMBL11054574 0.98 ALDH1A1 (0.43) ALDH1A1TP53HPGDHTTHSD17B10
SCHEMBL9616010 0.86 HPGD (0.42) ALDH1A1TP53HPGDHTTHSD17B10
SCHEMBL9159642 0.86 ITGB2 (0.45) ALDH1A1TP53HSD17B10CYP2C9CYP2C19
SCHEMBL9162991 0.83 HPGD (0.40) ALDH1A1TP53HPGDHTTHSD17B10
SCHEMBL11601549 0.79 KMO (0.35) HSD17B10CYP2C9CYP2C19TSHRKMO
SCHEMBL10779011 0.79 TSHR (0.50) TP53HTTHSD17B10CYP2C9CYP2C19
SCHEMBL11091141 0.78 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10CYP2C9CYP2C19
SCHEMBL11519814 0.77 POLB (0.51) ALDH1A1TP53HPGDHTTHSD17B10
SCHEMBL10784200 0.73 HSD17B10 (0.68) ALDH1A1HPGDHTTHSD17B10CYP2C9
SCHEMBL8779725 0.72 TP53 (0.44) ALDH1A1TP53HPGDHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496396-B1 2,5-dichlorophenylthioglycolic acid derivative and method for its production SUMITOMO SEIKA CHEMICALS (JP) 1995-04-05 EP claimed
US-5352821-A Reacting 2,4,5-trichlorobenzenesulfonate with thioglycolic acid in presence of base, reacting with mineral acid or aqueous solution thereof SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1994-10-04 US claimed
EP-0496396-A2 2,5-dichlorophenylthioglycolic acid derivative and method for its production SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1992-07-29 EP claimed
EP-0290886-B1 PROCESS FOR THE PREPARATION OF 2,5-DICHLOROPHENYLTHIOGLYCOLIC ACID CASSELLA Aktiengesellschaft (DE) 1992-01-08 EP claimed
US-4555580-A FROM PHENYLTHIOGLYCOLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1985-11-26 US claimed
JP-5086019-A None JP disclosed
JP-5178816-A None JP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0496396-B1 2,5-dichlorophenylthioglycolic acid derivative and method for its production SUMITOMO SEIKA CHEMICALS (JP) 1995-04-05 EP disclosed
EP-0496396-B1 2,5-dichlorophenylthioglycolic acid derivative and method for its production SUMITOMO SEIKA CHEMICALS (JP) 1995-04-05 EP disclosed
EP-0488237-B1 Method for producing dichlorophenylthioglycolic acid SUMITOMO SEIKA CHEMICALS (JP) 1995-03-01 EP disclosed
US-4689087-A Process for the preparation of an organic pigment on the basis of 4,4',7,7'-tetrachloro-thio-indigo HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-25 US disclosed
US-4652660-A OXIDATION BAYER AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
US-4617403-A Process for preparing a pigment based on 4,4',7,7'-tetrachlorothioindigo HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-14 US disclosed
US-4555580-A FROM PHENYLTHIOGLYCOLIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1985-11-26 US disclosed
US-4461911-A FROM THIOGLYCOLIC ACID AND AN ARYLDIAZONIUM SALT, COPPER SALT, ACID MEDIUM BAYER AKTIENGESELLSCHAFT (DE) 1984-07-24 US disclosed
US-4431824-A Preparation of 4,4',7,7'-tetrachlorothioindigo pigments of high color strength BASF AKTIENGESELLSCHAFT (DE) 1984-02-14 US disclosed
US-4332955-A Preparation of transparent pigmentary forms of 4,4',7,7'-tetrachlorothioindigo BASF AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed
US-4260778-A Process for the preparation of thioindigo compounds BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed