SCHEMBL2014114

SCHEMBL2014114

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62

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
Isopropyl Alcohol SCHEMBL29291910 0.87
Isobutane SCHEMBL8544268 0.83
SCHEMBL14193188 0.83
SCHEMBL716194 0.83
SCHEMBL2546600 0.83
Lactic Acid SCHEMBL28355607 0.80 TP53 (0.58) ALDH1A1TSHRTP53
Ammonia Solution, Strong SCHEMBL7065187 0.79
SCHEMBL322832 0.79 ALDH1A1 (1.00) ALDH1A1TSHRTP53
SCHEMBL20661241 0.79 ALDH1A1 (1.00) ALDH1A1TSHRTP53
SCHEMBL1331930 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2756082-A1 MICROORGANISMS AND METHODS FOR PRODUCING ALKENES Genomatica, Inc. (US) 2014-07-23 EP 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