Methane

Methane

SCHEMBL6359900

C.CCCC(=O)OCC1CO1

nearest known ligand 0.60

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
NLRP3 Q96P20 1/20 0.49
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MGLL Q99685 3/20 0.46

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
SCHEMBL57588 0.98 ALDH1A1 (0.52) ALDH1A1NLRP3LMNAPOLBTP53
SCHEMBL78536 0.98 ALDH1A1 (0.52) ALDH1A1NLRP3LMNAPOLBTP53
SCHEMBL78535 0.98 ALDH1A1 (0.52) ALDH1A1NLRP3LMNAPOLBTP53
SCHEMBL28191220 0.96 ALDH1A1 (0.50) ALDH1A1NLRP3LMNAPOLBTP53
Water SCHEMBL28213494 0.96 ALDH1A1 (0.50) ALDH1A1NLRP3LMNAPOLBTP53
Bicarbonate SCHEMBL29739743 0.94 ALDH1A1 (0.49) ALDH1A1NLRP3MGLL
Cyclohexane SCHEMBL6354277 0.94 ALDH1A1 (0.49) ALDH1A1NLRP3LMNAPOLBTP53
Benzene SCHEMBL28778902 0.93 MGLL (0.54) MGLL
Glycidol SCHEMBL5673692 0.91 ALDH1A1 (0.46) ALDH1A1NLRP3LMNAPOLBTP53
SCHEMBL4214489 0.91 ALDH1A1 (0.46) ALDH1A1NLRP3LMNAPOLBTP53

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