SCHEMBL20717825

SCHEMBL20717825

CC(C)COCC(COCC(C)O)(COCC(C)O)COCC(C)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.33
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 1/20 0.31
LMNA P02545 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
SCHEMBL13168203 0.93 HSD17B10 (0.50) HSD17B10MAPK1TDP1FYNMAOA
SCHEMBL12339200 0.87 ALDH1A1 (0.33)
SCHEMBL20762284 0.84 HSD17B10 (0.48) HSD17B10MAPK1TDP1FYNMAOA
SCHEMBL24052924 0.84 HSD17B10 (0.43) HSD17B10MAPK1TDP1FYNMAOA
SCHEMBL24052898 0.84 HSD17B10 (0.43) HSD17B10MAPK1TDP1FYNMAOA
SCHEMBL483498 0.82
SCHEMBL20717767 0.81 HSD17B10 (0.44) HSD17B10MAPK1TDP1FYNMAOA
SCHEMBL5904489 0.81 HSD17B10 (0.44) HSD17B10MAPK1TDP1FYNMAOA
SCHEMBL505898 0.81 HSD17B10 (0.50) HSD17B10MAPK1TDP1FYNMAOA
SCHEMBL15867146 0.81 HSD17B10 (0.56) HSD17B10MAPK1TDP1FYNMAOA

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-11072680-B2 Composition comprising oligomeric polyol compositions and polyisocyanates PRESIDIUM USA, INC. (US) 2021-07-27 US disclosed
US-11066511-B2 Oligomeric polyol compositions PRESIDIUM USA, INC. (US) 2021-07-20 US disclosed
US-20190040184-A1 OLIGOMERIC POLYOL COMPOSITIONS PRESIDIUM INNOVATIONS, LLC 2019-02-07 US disclosed