SCHEMBL28640798

SCHEMBL28640798

CC(C)=CCBr.COC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 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
SCHEMBL39385 0.81
SCHEMBL15318919 0.78
Hydrochloric Acid SCHEMBL18338548 0.75
SCHEMBL11653936 0.73
SCHEMBL9814306 0.73 ALOX15 (0.43) ALOX15
Chlorolithium SCHEMBL23457018 0.73
SCHEMBL28283464 0.72 ALDH1A1 (0.57) ALDH1A1
SCHEMBL28283465 0.70 ALDH1A1 (0.40) ALDH1A1
SCHEMBL12032015 0.67 MAPK1 (0.33) ALDH1A1ALOX15
Bromomethane SCHEMBL28561555 0.64

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-109438183-B Synthesis method of bisabolene 安徽省新康饲料有限公司 2021-09-14 CN claimed
CN-109438183-B Synthesis method of bisabolene 安徽省新康饲料有限公司 2021-09-14 CN disclosed