SCHEMBL2017195

SCHEMBL2017195

CC(C)C(C)O.CC(C)C(C)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 4/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.36

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
SCHEMBL23875 1.00
SCHEMBL685153 1.00
SCHEMBL418078 1.00
Hydrochloric Acid SCHEMBL6645496 0.94
SCHEMBL28881845 0.94
SCHEMBL31518532 0.94
SCHEMBL27646234 0.94
Ammonia Solution, Strong SCHEMBL2679632 0.94
Methyl Alcohol SCHEMBL17241953 0.94
Ammonia Solution, Strong SCHEMBL1333597 0.94

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-2336340-A1 Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step Marliere, Philippe (FR) 2011-06-22 EP disclosed