SCHEMBL24933751

SCHEMBL24933751

CC(C)OCC1COCC(CO)O1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.31
CHRM3 P20309 2/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 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
SCHEMBL26317507 0.90 CHRM2 (0.35) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL27900322 0.81 CYP2A6 (0.30)
SCHEMBL1565241 0.79 CHRM2 (0.33) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL8931143 0.77
SCHEMBL1077566 0.77 CHRM2 (0.38) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL1077568 0.77 CHRM2 (0.38) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL1077565 0.77 CHRM2 (0.38) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL15578861 0.77 CHRM2 (0.38) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL24933685 0.75
SCHEMBL18883518 0.73 PIK3CD (0.31)

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
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed