SCHEMBL4968178

SCHEMBL4968178

CCOC(=O)c1ccc([Na])c(C(=O)O)c1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
CDC25B P30305 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCL1 Q07820 1/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL150520 0.80 CYP2D6 (0.38) TSHRCA1CA2CA12CA7
SCHEMBL29441334 0.80 CYP2D6 (0.38) TSHRCA1CA2CA12CA7
SCHEMBL433519 0.77 TSHR (0.56) TSHRCA1CA2CA12CA7
SCHEMBL8900535 0.76 SERPINE1 (0.33) TSHRALDH1A1HSD17B10KDM4EL3MBTL1
SCHEMBL6055475 0.75 TSHR (0.54) TSHRCA1CA2CA12CA7
SCHEMBL11516243 0.75 TSHR (0.54) TSHRCA1CA2CA12CA7
SCHEMBL14720272 0.75 TSHR (0.54) TSHRCA1CA2CA12CA7
SCHEMBL4968176 0.75 CA1 (0.38) TSHRCA1CA2CA12CA7
Terephthalic Acid SCHEMBL27317683 0.75 APEX1 (0.39) TSHRCA1CA2CA12CA7
SCHEMBL10491295 0.74 TSHR (0.41) TSHRCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101321823-B Polyamides and polyesters mixed with lithium salt interfacial tension reducing agents M&G Polymer Italy Co.,Ltd. (IT) 2012-02-22 CN disclosed
CN-100558784-C The sulfonated aliphatic-aromatic copolyether ester DU PONT (US) 2009-11-11 CN disclosed
CN-101321823-A Polyamides and polyesters mixed with lithium salt interfacial tension reducing agents M & G POLIMERI ITALIA SPA (IT) 2008-12-10 CN disclosed
EP-1482000-B1 Copolyesters having repeat units derived from succinic acid EASTMAN CHEM CO (US) 2008-08-27 EP disclosed
CN-1684996-A Sulfonated aliphatic-aromatic copolyetherester DU PONT (US) 2005-10-19 CN disclosed
CN-1187391-C Process for making sulfonated polyester compounds RHODIA (US) 2005-02-02 CN disclosed
EP-1482000-A2 Copolyesters having repeat units derived from succinic acid Eastman Chemical Company (US) 2004-12-01 EP disclosed
EP-0710258-B1 COPOLYESTERS HAVING REPEAT UNITS DERIVED FROM SUCCINIC ACID EASTMAN CHEM CO (US) 2004-09-15 EP disclosed
CN-1402746-A Method for producing sulfonated polyester compound RHODIA (US) 2003-03-12 CN disclosed
US-5589566-A BIODEGRADABLE, FILMS, MOLDINGS, HIGH STRENGTH, GOOD COLOR EASTMAN CHEMICAL COMPANY (US) 1996-12-31 US disclosed
EP-0710258-A1 COPOLYESTERS HAVING REPEAT UNITS DERIVED FROM SUCCINIC ACID EASTMAN CHEMICAL COMPANY (US) 1996-05-08 EP disclosed
US-5498453-A FILMS, INJECTION MOLDING; IMPACT STRENGTH, ELONGATION EASTMAN CHEMICAL COMPANY (US) 1996-03-12 US disclosed
US-5480962-A BRANCHING AGENT; FLEXIBILITY, IMPACT STRENGTH, ELONGATION; INJECTION MOLDING EASTMAN CHEMICAL COMPANY (US) 1996-01-02 US disclosed
US-5434238-A Aliphatic polyesters, films, injection molding EASTMAN CHEMICAL COMPANY (US) 1995-07-18 US disclosed
WO-1995003347-A1 COPOLYESTERS HAVING REPEAT UNITS DERIVED FROM SUCCINIC ACID EASTMAN CHEMICAL COMPANY (US) 1995-02-02 WO disclosed