SCHEMBL18978377

SCHEMBL18978377

C=C(C)C(O)OCC(C)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.32
LMNA P02545 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
SCHEMBL13144156 0.76 USP2 (0.35) MAPK1TSHRLMNA
SCHEMBL9910554 0.75 TDP1 (0.46) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL22811276 0.74
SCHEMBL3445591 0.74
SCHEMBL4541408 0.72 HSD17B10 (0.30) TDP1HSD17B10
SCHEMBL889788 0.72
SCHEMBL6140699 0.71 TDP1 (0.45) TDP1MAPK1HSD17B10TSHR
SCHEMBL859903 0.70 HSD17B10 (0.52) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL17613104 0.70 TDP1 (0.43) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL22811218 0.70 TDP1 (0.43) TDP1MAPK1HSD17B10TSHRLMNA

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-9738784-B2 Polymer blends NOVOMER, INC. (US) 2017-08-22 US disclosed
US-20170166712-A1 MULTIFUNCTIONAL CURING AGENTS AND THEIR USE IN IMPROVING STRENGTH OF COMPOSITES CONTAINING CARBON FIBERS EMBEDDED IN POLYMERIC MATRIX UT-BATTELLE, LLC (US) 2017-06-15 US disclosed