SCHEMBL4555544

SCHEMBL4555544

C=CC(=O)OCC(O)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
THRB P10828 1/20 0.35
TYMS P04818 1/20 0.34
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4449507 0.81 TSHR (0.40) TSHRALDH1A1TDP1
SCHEMBL5378965 0.80 TSHR (0.36) TSHRTHRBTYMSALDH1A1
Phthalic Anhydride SCHEMBL5378960 0.78 TSHR (0.49) TSHRTHRBTYMSALDH1A1ALOX15
SCHEMBL28474872 0.75 ALOX15 (0.39) TYMSALDH1A1ALOX15TDP1
SCHEMBL1685743 0.75 THRB (0.50) TSHRTHRBALDH1A1
SCHEMBL21177274 0.74 CYP3A4 (0.40) TSHRALDH1A1ALOX15TDP1
SCHEMBL16979274 0.72 THRB (0.44) TSHRTHRBTYMSALDH1A1
SCHEMBL31327423 0.72 THRB (0.44) TSHRTHRBTYMSALDH1A1
Phthalic Anhydride SCHEMBL2010624 0.72 TSHR (0.45) TSHRTHRBTYMSALDH1A1ALOX15
SCHEMBL17481246 0.71 TYMS (0.46) THRBTYMSALDH1A1ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189994-B1 OIL SOLUBLE RADIATION CURABLE METAL-CONTAINING COMPOUNDS AND COMPOSITIONS SARTOMER CO INC (US) 2009-03-18 EP disclosed
US-6399672-B1 OIL SOLUBLE UNSATURATED COMPOUNDS AND PHOTOINITIATORS SARTOMER TECHNOLOGIES CO., INC. 2002-06-04 US disclosed
EP-1189994-A2 OIL SOLUBLE RADIATION CURABLE METAL-CONTAINING COMPOUNDS AND COMPOSITIONS SARTOMER COMPANY, INC. (US) 2002-03-27 EP disclosed
WO-2000075241-A2 OIL SOLUBLE RADIATION CURABLE METAL-CONTAINING COMPOUNDS AND COMPOSITIONS SARTOMER COMPANY, INC. (US) 2000-12-14 WO disclosed