SCHEMBL29117486

SCHEMBL29117486

CC(=NO)C(C)C.CC(CC(C)C)=NO

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL248805 0.87
SCHEMBL248806 0.87
SCHEMBL642198 0.87
Hydrochloric Acid SCHEMBL8661998 0.85
Hydrochloric Acid SCHEMBL8661996 0.85
SCHEMBL20211034 0.85
SCHEMBL22398865 0.82 ALDH1A1 (0.43) ALDH1A1TDP1
SCHEMBL1268718 0.79
SCHEMBL1218803 0.79
SCHEMBL287484 0.79

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-117178030-A Aqueous coating composition for corrosion protection 湛新奥地利有限公司 2023-12-05 CN disclosed