SCHEMBL12757693

SCHEMBL12757693

BOCC(C)CC(CCC(COB)CC(C)=O)COB

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL260940 0.91 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL12757692 0.89 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL260941 0.88 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL260993 0.77
SCHEMBL138046 0.68 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL12856181 0.67
SCHEMBL13037116 0.67 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL18100236 0.66 ALDH1A1 (0.60) ALDH1A1TDP1
SCHEMBL140099 0.66 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL13679359 0.62 ALDH1A1 (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318829-B2 Methylene bis(cyclohexylamine)-initiated polyols and rigid polyurethane foam made therefrom DOW GLOBAL TECHNOLOGIES LLC (US) 2012-11-27 US disclosed
US-20110077315-A1 METHYLENE BIS(CYCLOHEXYLAMINE)-INITIATED POLYOLS AND RIGID POLYURETHANE FOAM MADE THEREFROM DOW GLOBAL TECHNOLOGIES LLC 2011-03-31 US disclosed