SCHEMBL11584587

SCHEMBL11584587

CC(C)=CCC(=O)C1CCCC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.33

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
SCHEMBL11521736 0.82 APLNR (0.34) APLNR
SCHEMBL11584913 0.81 APLNR (0.33) APLNR
SCHEMBL11584918 0.81 APLNR (0.33) APLNR
SCHEMBL10951171 0.78 APLNR (0.36) APLNR
SCHEMBL27971598 0.78 APLNR (0.39) APLNR
SCHEMBL11062252 0.77 APLNR (0.35) APLNR
SCHEMBL11501688 0.75 APLNR (0.34) APLNR
SCHEMBL23457777 0.75 APLNR (0.43) APLNR
SCHEMBL715584 0.75 APLNR (0.43) APLNR
SCHEMBL30879578 0.75 APLNR (0.43) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122120-A ISOMERIZATION OF A PROPARGYL ALCOHOL INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-24 — — US claimed
US-4107093-A 3,3-Dimethyl-1-(4-methylvaleryl)-cyclohexane perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-08-15 — — US claimed
US-4122120-A ISOMERIZATION OF A PROPARGYL ALCOHOL INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-24 — — US disclosed
US-4122120-A ISOMERIZATION OF A PROPARGYL ALCOHOL INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-24 — — US disclosed
US-4107093-A 3,3-Dimethyl-1-(4-methylvaleryl)-cyclohexane perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-08-15 — — US disclosed
US-4103036-A Flavoring with derivatives of 1-acetyl-3,3-dimethylcyclohexane, and processes for using same and processes for preparing said 1-acetyl-3,3-dimethylcyclohexane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-07-25 — — US disclosed
US-4062894-A AROMA, ODORANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-12-13 — — US disclosed
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