Cyclohexane

Cyclohexane

SCHEMBL1801941

C1CCCCC1.C=COC(=O)OC(=O)OC=C

nearest known ligand 0.32

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
FGFR4 P22455 1/20 0.32

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
Cyclopropane SCHEMBL1799907 1.00 ALDH1A1 (0.32) ALDH1A1TSHRFGFR4
SCHEMBL1802495 1.00 ALDH1A1 (0.32) ALDH1A1TSHRFGFR4
SCHEMBL1022671 0.91 ALDH1A1 (0.37) ALDH1A1TSHRFGFR4
SCHEMBL35719 0.78
SCHEMBL7935518 0.78
1,3-Propanediol SCHEMBL4394586 0.77 TSHR (0.33) TSHR
Ethylene SCHEMBL167404 0.76 LMNA (0.33) ALDH1A1TSHRFGFR4
Bicarbonate SCHEMBL25229752 0.73 LMNA (0.39) ALDH1A1TSHRFGFR4
SCHEMBL319201 0.72 EPHX1 (0.42)
SCHEMBL11765804 0.72 ALDH1A1 (0.39) ALDH1A1TSHR

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
US-7972822-B2 Enzyme-catalyzed polycarbonate and polycarbonate ester synthesis POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2011-07-05 US disclosed
EP-2331592-A1 ENZYME-CATALYZED POLYCARBONATE AND POLYCARBONATE ESTER SYNTHESIS Polytechnic Institute of New York University (US) 2011-06-15 EP disclosed
US-7951899-B2 Enzyme-catalyzed polycarbonate and polycarbonate ester synthesis POLYTECHNIC UNIVERSITY (US) 2011-05-31 US disclosed
WO-2010019931-A1 ENZYME-CATALYZED POLYCARBONATE AND POLYCARBONATE ESTER SYNTHESIS POLYTECHNIC INSTITUTE OF NEW YORK UNIVERSITY (US) 2010-02-18 WO disclosed
US-20100041856-A1 ENZYME-CATALYZED POLYCARBONATE AND POLYCARBONATE ESTER SYNTHESIS POLYTECHNIC UNIVERSITY 2010-02-18 US disclosed
US-20090047717-A1 ENZYME-CATALYZED POLYCARBONATE AND POLYCARBONATE ESTER SYNTHESIS SyntheZyme, LLC 2009-02-19 US disclosed