SCHEMBL16233152

SCHEMBL16233152

C=C(C)CCC(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL755487 0.83 KMT2A (0.39) ALDH1A1KMT2AHSD17B10
SCHEMBL12264413 0.80 TDP1 (0.32) TDP1
SCHEMBL15142821 0.79 KMT2A (0.34) ALDH1A1KMT2A
SCHEMBL16256655 0.79 KMT2A (0.35) ALDH1A1KMT2A
SCHEMBL11253721 0.78 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL3628615 0.78 ALDH1A1 (0.59) ALDH1A1KMT2ATDP1
SCHEMBL11054270 0.76 TET2 (0.34) ALDH1A1KMT2AHSD17B10TDP1
SCHEMBL83558 0.72
SCHEMBL409946 0.72 EGLN1 (0.53) KMT2A
SCHEMBL8025025 0.72

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-9458248-B2 Cellulose mixed esters RESENE PAINTS LIMITED (NZ) 2016-10-04 US disclosed
US-20140331895-A1 ORGANIC COMPOUNDS RESENE PAINTS LIMITED (NZ) 2014-11-13 US disclosed