SCHEMBL29040960

SCHEMBL29040960

O=C(/C=C\C(=O)ON1CCNC1)ON1CCNC1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL5874850 0.87 CA2 (0.37) CA12CA1CA2CA9
SCHEMBL5874482 0.87 CA2 (0.37) CA12CA1CA2CA9
SCHEMBL28401772 0.84
SCHEMBL9596607 0.80 HCAR2 (0.39) CA12CA1CA2CA9
SCHEMBL9596598 0.80 HCAR2 (0.39) CA12CA1CA2CA9
SCHEMBL28719611 0.79 HCAR2 (0.38) CA12CA1CA2CA9
Water SCHEMBL28189169 0.79 HCAR2 (0.38) CA12CA1CA2CA9
SCHEMBL16057898 0.77
SCHEMBL253645 0.77
SCHEMBL27527083 0.75 CA12 (0.30) CA12CA1CA2CA9

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-116507327-A Chewable formulations 礼蓝动物保健有限公司 2023-07-28 CN disclosed