SCHEMBL7112593

SCHEMBL7112593

O=C(O)C1=CC(C(=O)O)C(C(=O)O)C=C1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
DAO P14920 1/20 0.30
NAPRT Q6XQN6 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP1A2 P05177 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
SCHEMBL28281117 0.75 TSHR (0.33) TSHRTP53DAONAPRTALDH1A1
SCHEMBL21950877 0.73 POLB (0.35) DAOALDH1A1
SCHEMBL28405654 0.73 POLB (0.35) DAOALDH1A1
SCHEMBL813574 0.71 TSHR (0.35) TSHRTP53DAONAPRTALDH1A1
SCHEMBL813575 0.71 TSHR (0.35) TSHRTP53DAONAPRTALDH1A1
SCHEMBL13818454 0.67 PKM (0.30)
SCHEMBL27723749 0.65 TSHR (0.41) TSHRTP53DAONAPRTALDH1A1
SCHEMBL3482767 0.65 POLB (0.40) TSHRALOX15CYP1A2
SCHEMBL5484576 0.61
SCHEMBL18771201 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754739-B1 Curable coating composition KANSAI PAINT CO LTD (JP) 2003-10-29 EP disclosed
US-5684095-A POLYESTER, POLYEPOXIDE, SILICON COMPOUND AND CHELATE CMPOUND IN SOLVENT KANSAI PAINT COMPANY, LIMITED (JP) 1997-11-04 US disclosed
EP-0754739-A2 Curable coating composition KANSAI PAINT CO., LTD. (JP) 1997-01-22 EP disclosed