SCHEMBL29634837

SCHEMBL29634837

O=C(O)N1CCCCCCCCCCCNNNNNNN1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31

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
SCHEMBL30526847 0.92 CA2 (0.32) CA2CHKA
SCHEMBL30712155 0.84 CA2 (0.34) CA2CHKA
SCHEMBL1919225 0.73 CA2 (0.43) CA2CHKA
SCHEMBL3466500 0.73 CA2 (0.43) CA2CHKA
SCHEMBL7458218 0.71
Acetic Acid SCHEMBL2090071 0.68 FFAR3 (0.39)
Acetic Acid SCHEMBL1566799 0.68 FFAR3 (0.39)
Acetic Acid SCHEMBL1528008 0.68 FFAR3 (0.39)
SCHEMBL4129579 0.67 CA2 (0.33) CA2CHKA
SCHEMBL3074081 0.67 ALDH1A1 (0.40)

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-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed