SCHEMBL28822378

SCHEMBL28822378

O=C1CCC2=C1C=CCC2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL8663161 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13415821 0.78
SCHEMBL14433584 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17968444 0.69
SCHEMBL8661501 0.69 CES1 (0.47) ALDH1A1
SCHEMBL813966 0.68
SCHEMBL8009146 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11837883 0.67 CES1 (0.34) ALDH1A1
SCHEMBL30390134 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18888386 0.67 CA1 (0.37) ALDH1A1CA1CA9TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104955796-A 6-CHLORO-3-(PHENYL-D5)-INDEN-1-ONE AND USE THEREOF LUNDBECK & CO AS H 2015-09-30 CN claimed
EP-4680184-A1 HIGH PERFORMANCE FRAGRANCE COMPOSITIONS FOR RINSE-OFF CONDITIONER International Flavors & Fragrances Inc. (US) 2026-01-21 EP disclosed
WO-2024192221-A1 HIGH PERFORMANCE FRAGRANCE COMPOSITIONS FOR RINSE-OFF CONDITIONER INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2024-09-19 WO disclosed
CN-104955796-A 6-CHLORO-3-(PHENYL-D5)-INDEN-1-ONE AND USE THEREOF LUNDBECK & CO AS H 2015-09-30 CN disclosed