SCHEMBL9322915

SCHEMBL9322915

CC(C)(CCCCCCC(C)(C)N=C=O)N=C=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL10840235 1.00 FFAR1 (0.31) FFAR1CPT2TDP1
SCHEMBL192803 0.97
SCHEMBL8763158 0.92
SCHEMBL11280542 0.91 GGPS1 (0.38)
SCHEMBL9800901 0.91 GGPS1 (0.38)
SCHEMBL11040924 0.91 GGPS1 (0.38)
SCHEMBL9123282 0.91 GGPS1 (0.38)
SCHEMBL8819694 0.91 GGPS1 (0.38)
SCHEMBL4084299 0.88 FDPS (0.34)
SCHEMBL1123449 0.87

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
US-5319133-A Isocyanates and their preparation using hypochlorous acid OLIN CORPORATION (US) 1994-06-07 US disclosed