SCHEMBL9727388

SCHEMBL9727388

C#CC1(O)CC(C)(C)NC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL1703919 0.75 ALDH1A1 (0.39) ALDH1A1
SCHEMBL929080 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL11372652 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL243842 0.71
SCHEMBL16468822 0.70 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11462732 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1232618 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9727890 0.68 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21189243 0.67 ALDH1A1 (0.36) ALDH1A1
Ethane SCHEMBL18784636 0.67 ALDH1A1 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385637-B1 IMPROVED RAMAN-ACTIVE TAGGANTS AND THEIR RECOGNITION QUANTAG SYSTEMS INC (US) 2011-08-24 EP disclosed
US-5087752-A Oxidizing secondary amine CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1992-02-11 US disclosed