SCHEMBL11328809

SCHEMBL11328809

CC(=CC(C)C(N)N)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
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
SCHEMBL11328798 1.00 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL21084763 0.86 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL9358542 0.74 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL19035919 0.74 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL9358534 0.74 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL20146655 0.71 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL14959172 0.71 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL11333032 0.71 GAA (0.37)
SCHEMBL11333040 0.71 GAA (0.37)
SCHEMBL11352854 0.68 ALDH1A1 (0.36) ALDH1A1TDP1

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-4293688-A Polyamides of 1,4-cyclohexane dicarboxylic acid and 5-methyl-1,9-nonanediamine and fibers thereof PHILLIPS PETROLEUM CO. (US) 1981-10-06 US disclosed
US-4187371-A FORMING THE DIAMMONIUM SALT IN WATER-METHANOL, THEN POLYMERIZING PHILLIPS PETROLEUM COMPANY (US) 1980-02-05 US disclosed
US-3980621-A Polyamides of terephthalic acid and 5-methyl-1,9-nonanediamine and fibers thereof PHILLIPS PETROLEUM COMPANY (US) 1976-09-14 US disclosed