SCHEMBL11001034

SCHEMBL11001034

COC(C)(NC(C)C)OC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
Bromide SCHEMBL4340413 0.71
SCHEMBL104329 0.65
SCHEMBL8059492 0.65 ALDH1A1 (0.43) ALDH1A1
SCHEMBL23061698 0.65 TDP1 (0.33)
SCHEMBL22013876 0.63
SCHEMBL20098033 0.63
SCHEMBL8355137 0.62
SCHEMBL29249255 0.62
Hydrochloric Acid SCHEMBL29012713 0.62
SCHEMBL2452313 0.62

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
US-4531970-A Antidotal compound and method PPG INDUSTRIES, INC. (US) 1985-07-30 US disclosed
US-4443628-A Antidotal compounds for use with herbicides PPG INDUSTRIES, INC. (US) 1984-04-17 US disclosed
EP-0031686-A1 Antidotal compounds, their preparation and their use with herbicides PPG INDUSTRIES, INC. (US) 1981-07-08 EP disclosed