SCHEMBL29273686

SCHEMBL29273686

CCCCC[C@H]1CC[C@H](OCC2(CCC)CCC(C3CCCCC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39

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
SCHEMBL29273691 0.95 CYP1A2 (0.39) CYP1A2
SCHEMBL29273696 0.95 CYP1A2 (0.39) CYP1A2
SCHEMBL29273684 0.91 CYP1A2 (0.32) CYP1A2
SCHEMBL29273692 0.90 CYP1A2 (0.36) CYP1A2
SCHEMBL29273690 0.88 CYP1A2 (0.37) CYP1A2
SCHEMBL10715182 0.85 CYP1A2 (0.47) CYP1A2
SCHEMBL5711883 0.79 CYP1A2 (0.32) CYP1A2
SCHEMBL9646698 0.76 CYP1A2 (0.37) CYP1A2
SCHEMBL9646708 0.76 CYP1A2 (0.37) CYP1A2
SCHEMBL9646114 0.75 CYP1A2 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206434-A Preparation method of alkyl (alkyl cyclohexyl methoxy) cyclohexane 中节能万润股份有限公司 2024-06-18 CN disclosed