SCHEMBL29635083

SCHEMBL29635083

CCCCCCCCCCCCC1CCCCCCCCCCOC1=O

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
EPHX1 P07099 1/20 0.41

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
SCHEMBL17848561 1.00 CYP1A2 (0.45) CYP1A2EPHX1
SCHEMBL293147 0.98 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL28396829 0.98 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL27617282 0.98 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL6156814 0.98 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL25200172 0.98 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL2635996 0.98 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL7088283 0.98 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL486920 0.98 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL30066029 0.98 CYP1A2 (0.46) CYP1A2EPHX1

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-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