SCHEMBL29035731

SCHEMBL29035731

CC1=C(C)C(C)(/C=C/C(C)O)CCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.35
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL29113888 1.00 HIF1A (0.35) HIF1ACYP1A2
SCHEMBL29120847 0.80 CYP1A2 (0.30) CYP1A2
SCHEMBL28926853 0.72 CYP1A2 (0.41) HIF1ACYP1A2
SCHEMBL28960692 0.72 CYP1A2 (0.41) HIF1ACYP1A2
SCHEMBL5142805 0.70 CYP1A2 (0.37) CYP1A2
SCHEMBL891562 0.69 CYP1A2 (0.57) HIF1ACYP1A2
SCHEMBL11472130 0.69 CYP1A2 (0.57) HIF1ACYP1A2
SCHEMBL1997874 0.69 CYP1A2 (0.57) HIF1ACYP1A2
SCHEMBL28856995 0.69 HAO1 (0.40) HIF1ACYP1A2
SCHEMBL28923323 0.69 HAO1 (0.40) HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427421-A 3' -ketoside compounds with slow release of volatile alcohols 格莱克科学有限公司 2022-12-02 — — CN claimed
CN-110746277-B Pre-fragrance compounds 弗门尼舍有限公司 2023-06-09 — — CN disclosed
CN-115427421-A 3' -ketoside compounds with slow release of volatile alcohols 格莱克科学有限公司 2022-12-02 — — CN disclosed
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