SCHEMBL31633616

SCHEMBL31633616

Cc1cnc(C)c2c1C(=O)OC2=O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP19A1 P11511 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
SCHEMBL30366428 0.71 NQO1 (0.41) TSHRALDH1A1CYP19A1
SCHEMBL1886099 0.71 NQO1 (0.41) TSHRALDH1A1CYP19A1
SCHEMBL23482189 0.69 ALDH1A1 (0.46) TSHRALDH1A1
SCHEMBL6062280 0.68 NUAK1 (0.41) ALDH1A1
SCHEMBL21969744 0.68 TDP1 (0.33)
SCHEMBL21969753 0.68 NQO1 (0.31)
SCHEMBL9606823 0.68 NUAK1 (0.41) ALDH1A1
SCHEMBL2428615 0.67 TDP1 (0.39) TSHRALDH1A1
SCHEMBL21970047 0.64
SCHEMBL21969759 0.64 CYP2A6 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120192327-A Preparation method of pyridine dicarboxylic anhydride solution 张家港市国泰华荣化工新材料有限公司 2025-06-24 CN disclosed