SCHEMBL2021574

SCHEMBL2021574

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

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
ALOX15 P16050 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
Tert-Butanol SCHEMBL28043465 0.87 ALDH1A1 (0.71) ALDH1A1TP53TSHRALOX15
SCHEMBL129187 0.83
SCHEMBL15391931 0.82 ALOX15 (0.44) ALDH1A1TP53TSHRALOX15
SCHEMBL28497774 0.79
Tert-Butanol SCHEMBL15510638 0.79 ALOX15 (0.36) ALOX15
Ammonia Solution, Strong SCHEMBL11504576 0.79
SCHEMBL1331930 0.79
SCHEMBL14855 0.79
SCHEMBL20661241 0.79 ALDH1A1 (1.00) ALDH1A1TP53TSHR
SCHEMBL322832 0.79 ALDH1A1 (1.00) ALDH1A1TP53TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850196-A1 MICROORGANISMS AND PROCESSES FOR THE PRODUCTION OF ISOPRENE Glycos Biotechnologies, Inc. (US) 2015-03-25 EP disclosed
EP-2756082-A1 MICROORGANISMS AND METHODS FOR PRODUCING ALKENES Genomatica, Inc. (US) 2014-07-23 EP disclosed
WO-2013173437-A1 MICROORGANISMS AND PROCESSES FOR THE PRODUCTION OF ISOPRENE GLYCOS BIOTECHNOLOGIES, INC. (US) 2013-11-21 WO disclosed
WO-2013040383-A1 MICROORGANISMS AND METHODS FOR PRODUCING ALKENES GENOMATICA, INC. (US) 2013-03-21 WO disclosed
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