SCHEMBL2017295

SCHEMBL2017295

C=CC(=C)C.C=CCCO

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.56
ALDH1A1 P00352 3/20 0.56
TP53 P04637 1/20 0.56

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
Alcohol SCHEMBL3470536 0.95 TSHR (0.50) TSHRALDH1A1TP53
SCHEMBL28079703 0.88
SCHEMBL11115306 0.85 TSHR (0.67) TSHRALDH1A1TP53
Ethylene Glycol SCHEMBL35862 0.82
SCHEMBL1836 0.82
SCHEMBL11589496 0.82 TSHR (0.50) TSHRALDH1A1
Propene SCHEMBL28139856 0.79
Alcohol SCHEMBL462789 0.79
SCHEMBL9540540 0.79 TSHR (0.33) TSHRALDH1A1TP53
Helium SCHEMBL17199868 0.78

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
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
EP-2336341-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