SCHEMBL28111011

SCHEMBL28111011

CCOC(C)(C)C.COC1CCCC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL27209635 0.77 HSD11B1 (0.33)
SCHEMBL17546177 0.75 CA1 (0.36)
SCHEMBL20532 0.75
SCHEMBL24775569 0.74 ALDH1A1 (0.40) ALDH1A1
Alcohol SCHEMBL105384 0.74 EPHX1 (0.43) ALDH1A1
SCHEMBL7621609 0.73 DAO (0.30)
Hydrochloric Acid SCHEMBL1162671 0.72
Cyclohexane SCHEMBL15212796 0.72 CA1 (0.38) ALDH1A1
SCHEMBL1472301 0.72 CA1 (0.38) ALDH1A1
SCHEMBL21237759 0.72 CA1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102834370-B The preparation method of 1-amino-1-alkoxy carbonyl-2-vinylcyclopropane 株式会社API 2016-11-23 CN disclosed