Methane

Methane

SCHEMBL6350439

C.CCC(=O)OCC1CO1

nearest known ligand 0.53

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MGLL Q99685 4/20 0.45
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL13486202 0.98
SCHEMBL93275 0.98
SCHEMBL28191215 0.96 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MGLLLMNA
Cyclohexane SCHEMBL6352702 0.94 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLLLMNA
Ethyne SCHEMBL5847794 0.89 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4MGLL
Acrylic Acid SCHEMBL11041044 0.86 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28666037 0.84 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLL
Methane SCHEMBL6359900 0.84 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4MGLLLMNA
SCHEMBL19115140 0.83 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MGLLLMNA
SCHEMBL12548900 0.82 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4MGLLLMNA

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-20050165201-A1 Epoxidizing an alpha-halohydrin intermediate from a halide substitution-deesterification of an alpha -hydroxy ester derivative obtained by the coupling reaction of a phenol and a glycidyl ester BORIACK CLINTON J (US) 2005-07-28 US disclosed
US-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US disclosed
US-6534621-B2 Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative DOW GLOBAL TECHNOLOGIES INC. 2003-03-18 US disclosed
EP-1290058-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2003-03-12 EP disclosed
US-20020045707-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2002-04-18 US disclosed
WO-2001088013-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2001-11-22 WO disclosed