SCHEMBL28370477

SCHEMBL28370477

CCCCCCCCCC1CCOC1=O

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54

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
SCHEMBL27636329 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL31421622 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL663700 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL11392390 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL8999815 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL12254212 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL665388 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL1986603 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL8999836 1.00 CYP1A2 (0.54) CYP1A2
SCHEMBL1759484 0.98 CYP1A2 (0.56) CYP1A2

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-114514997-A Flavor grease containing vanillin and application thereof 北京鸿禧志业科技有限公司 2022-05-20 CN disclosed
CN-109776618-B Metal complex and preparation method and application thereof 池州学院 2021-11-19 CN disclosed
CN-110897134-A Jinnaiwang type edible essence containing 3-methylthiopropanal 苏州禾田香料有限公司 2020-03-24 CN disclosed