SCHEMBL8900535

SCHEMBL8900535

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.31
PFKFB3 Q16875 1/20 0.31
TDP2 O95551 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADORA3 P0DMS8 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
SCHEMBL6407707 0.84 ALDH1A1 (0.39) ALDH1A1TSHRPFKFB3TDP1L3MBTL1
SCHEMBL1234665 0.79 ALDH1A1 (0.44) ALDH1A1TSHRPFKFB3TDP1L3MBTL1
SCHEMBL4968178 0.76 TSHR (0.42) ALDH1A1TSHRL3MBTL1KDM4EHPGD
SCHEMBL4968176 0.76 CA1 (0.38) ALDH1A1TSHRL3MBTL1KDM4EGLA
SCHEMBL483848 0.76 ALDH1A1 (0.38) SERPINE1ALDH1A1TSHRPFKFB3TDP1
SCHEMBL2116927 0.74 ALOX15 (0.41) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL11035395 0.72 TSHR (0.45) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL29540297 0.70 ALDH1A1 (0.55) ALDH1A1TSHRTDP1L3MBTL1KDM4E
SCHEMBL29441334 0.68 CYP2D6 (0.38) ALDH1A1TSHRTDP1KDM4EHPGD
SCHEMBL150520 0.68 CYP2D6 (0.38) ALDH1A1TSHRTDP1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599782-A LOW MOLECULAR WEIGHT POLYESTER ANTISOILANTS THE PROCTER & GAMBLE COMPANY (US) 1997-02-04 US claimed
EP-0547106-B1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS PROCTER & GAMBLE (US) 1995-12-27 EP claimed
WO-1995024435-A1 PROCESS FOR PRODUCING POLYESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-09-14 WO claimed
EP-0547106-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS. PROCTER & GAMBLE (US) 1993-06-23 EP claimed
WO-1992004433-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1992-03-19 WO claimed
US-5599782-A LOW MOLECULAR WEIGHT POLYESTER ANTISOILANTS THE PROCTER & GAMBLE COMPANY (US) 1997-02-04 US disclosed
EP-0547106-B1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS PROCTER & GAMBLE (US) 1995-12-27 EP disclosed
EP-0547106-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS. PROCTER & GAMBLE (US) 1993-06-23 EP disclosed
WO-1992004433-A1 IMPROVED SOIL RELEASE AGENTS FOR GRANULAR LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1992-03-19 WO disclosed