SCHEMBL9705310

SCHEMBL9705310

COCC(C)O.CONC(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
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
SCHEMBL716147 0.82 HSD17B10 (0.52) HSD17B10MAPK1TDP1LMNA
SCHEMBL8437357 0.82 HSD17B10 (0.52) HSD17B10MAPK1TDP1LMNA
SCHEMBL15183 0.82
SCHEMBL76862 0.82
SCHEMBL415172 0.82
SCHEMBL21403239 0.79
Hydrochloric Acid SCHEMBL8061170 0.79
SCHEMBL2013782 0.79
Water SCHEMBL9489870 0.79 HSD17B10 (0.50) HSD17B10MAPK1TDP1LMNA
SCHEMBL30183156 0.79

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
EP-0508280-A2 Separation of methoxyisopropylamine from methoxyisopropylamine-water azeotrope AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-10-14 EP disclosed