SCHEMBL28567722

SCHEMBL28567722

CO[Si](C)(CC(CN)CCCN)OC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 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
SCHEMBL11844184 0.88
SCHEMBL3647732 0.88
SCHEMBL25802840 0.82 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL28965036 0.82 ALDH1A1 (0.35) ALDH1A1TDP1CYP3A4
SCHEMBL28179299 0.78
SCHEMBL27741312 0.78
SCHEMBL15513614 0.78
SCHEMBL5981604 0.77 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL16390225 0.75 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL28719458 0.74 ALDH1A1 (0.33) ALDH1A1TDP1CYP3A4

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-107148451-B Polyamide composition and molded article formed from same 宇部兴产株式会社 2021-03-30 CN disclosed