SCHEMBL8567082

SCHEMBL8567082

CC1(C)C=C(CO)CCC1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35

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
SCHEMBL3648864 0.83
SCHEMBL26932412 0.80
SCHEMBL28857180 0.78
SCHEMBL3398757 0.76 ACHE (0.36) ACHE
SCHEMBL3402313 0.74 ACHE (0.35) ACHE
SCHEMBL9175322 0.70
SCHEMBL3403369 0.70 ACHE (0.33) ACHE
SCHEMBL1128757 0.69 CYP1A2 (0.31)
Methyl Alcohol SCHEMBL16568696 0.68
SCHEMBL15426938 0.67 ACHE (0.30) ACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10226664-A None JP disclosed
JP-59130831-A None JP disclosed
JP-H10226664-A 1-(6,6-DIMETHYL-2-METHYLENECYCLOHEXAN-1-YL)PROPAN-2-ONE AND PERFUME COMPOSITION T HASEGAWA CO LTD 1998-08-25 JP disclosed
JP-S59130831-A PREPARATION OF 2,2-DIMETHYL- OR 2,2,3-TRIMETHYL-6-METHYLENE- CYCLOHEXYLACETALDEHYDE T HASEGAWA CO LTD 1984-07-27 JP disclosed
US-3946078-A ACIDIC DEHYDRATION FIRMENICH SA (CH) 1976-03-23 US disclosed