SCHEMBL29228161

SCHEMBL29228161

C=C(C)CC(CC)CC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL8470160 0.82
SCHEMBL15467042 0.82
SCHEMBL8055157 0.78 TDP1 (0.42) ALDH1A1TDP1
SCHEMBL28299569 0.77 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL25420041 0.76 TDP1 (0.41) ALDH1A1TDP1
SCHEMBL19066400 0.75
SCHEMBL5064431 0.74 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL19052271 0.73 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL13855459 0.73
SCHEMBL8290202 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111050855-B Mixtures comprising enantiomerically pure Ambrocenide DEG C 西姆莱斯有限公司 2024-04-26 CN claimed
CN-111050855-B Mixtures comprising enantiomerically pure Ambrocenide DEG C 西姆莱斯有限公司 2024-04-26 CN disclosed