SCHEMBL28575952

SCHEMBL28575952

C=C(C)CC(OCC)c1ccc(OC)cc1.c1cc2ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.44
▸ CYP17A1 P05093 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ AOC3 Q16853 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL29047161 0.95 FFAR1 (0.47) FFAR1ALDH1A1HPGDAOC3
SCHEMBL28568046 0.83 FFAR1 (0.41) FFAR1
SCHEMBL17755164 0.76 ALDH1A1 (0.50) ALDH1A1HPGDAOC3
SCHEMBL13189762 0.76 ALDH1A1 (0.46) ALDH1A1HPGDAOC3MEN1KMT2A
SCHEMBL28642886 0.73 AOC3 (0.45) FFAR1CYP17A1ALDH1A1AOC3
SCHEMBL23654956 0.71 CYP1A2 (0.56) ALDH1A1HPGDESR2AOC3
SCHEMBL28561463 0.69 ABL1 (0.43) FFAR1ALDH1A1HPGD
SCHEMBL1472635 0.68 CA12 (0.48) CYP17A1ALDH1A1AOC3
SCHEMBL18062411 0.68 CA12 (0.48) CYP17A1ALDH1A1AOC3MEN1KMT2A
SCHEMBL29089255 0.68 AOC3 (0.41) FFAR1CYP17A1ALDH1A1HPGDAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114727924-A Pro-fragrance compositions 弗门尼舍有限公司 2022-07-08 — — CN claimed
CN-116406251-A Disposable composition 弗门尼舍有限公司 2023-07-07 — — CN disclosed
CN-115698247-A Soap composition 弗门尼舍有限公司 2023-02-03 — — CN disclosed
CN-114761526-A Green scent agent 弗门尼舍有限公司 2022-07-15 — — CN disclosed
CN-114727924-A Pro-fragrance compositions 弗门尼舍有限公司 2022-07-08 — — CN disclosed
CN-113747880-A Hybrid microcapsules 弗门尼舍有限公司 2021-12-03 — — CN disclosed
CN-113614214-A Encapsulated pro-fragrance compounds 弗门尼舍有限公司 2021-11-05 — — CN disclosed
CN-113573804-A Cleavable polyol-based microcapsules 弗门尼舍有限公司 2021-10-29 — — CN disclosed
CN-113557081-A Poly (amide-ester) microcapsules 弗门尼舍有限公司 2021-10-26 — — CN disclosed
CN-113557082-A Composite microcapsule 弗门尼舍有限公司 2021-10-26 — — CN disclosed
CN-112752744-A Alkyl enol ether pro-fragrances 弗门尼舍有限公司 2021-05-04 — — CN disclosed
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