SCHEMBL31405445

SCHEMBL31405445

ClCCc1cccc2c1COCO2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.34
EED O75530 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
SCHEMBL31405456 0.83 ABCG2 (0.34) ABCG2EED
SCHEMBL31634143 0.82 ABCG2 (0.39) ABCG2EED
SCHEMBL9667815 0.80 MTNR1A (0.33) ABCG2
SCHEMBL28778284 0.79 ABCG2 (0.37) ABCG2EED
SCHEMBL30874548 0.79 PNMT (0.40) ABCG2EED
SCHEMBL7394171 0.79 PNMT (0.40) ABCG2EED
SCHEMBL19500892 0.79 GABRA1 (0.38) ABCG2
SCHEMBL28778285 0.79 ABCG2 (0.37) ABCG2EED
SCHEMBL583214 0.77 MTNR1B (0.41) EED
SCHEMBL29754286 0.77 ABCG2 (0.35) ABCG2EED

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
CN-120040410-A Preparation method of piperonylethylamine 湖北石河医药科技有限公司 2025-05-27 CN claimed
CN-120040410-A Preparation method of piperonylethylamine 湖北石河医药科技有限公司 2025-05-27 CN disclosed
CN-119219597-A Berberine hydrochloride intermediate and preparation method of berberine hydrochloride 浙江财和生物科技有限公司 2024-12-31 CN disclosed