Methane

Methane

SCHEMBL4457769

C.C.C.C.C.C.CCCCOC(=O)NC(N)=O.N=C=O.N=C=O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
EPHX1 P07099 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 14/20 0.42
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39

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
SCHEMBL4451188 0.89 RAB9A (0.61) RAB9AMAPTNPSR1EPHX1NPC1
SCHEMBL6687894 0.84 EPHX1 (0.60) RAB9AMAPTNPSR1EPHX1ACHE
SCHEMBL2184501 0.82 EPHX1 (0.63) RAB9AMAPTNPSR1EPHX1ACHE
SCHEMBL16722248 0.82 EPHX1 (0.63) RAB9AMAPTNPSR1EPHX1ACHE
SCHEMBL2184904 0.82 EPHX1 (0.63) RAB9AMAPTNPSR1EPHX1ACHE
SCHEMBL2189540 0.82 EPHX1 (0.63) RAB9AMAPTNPSR1EPHX1ACHE
SCHEMBL2185950 0.82 EPHX1 (0.63) RAB9AMAPTNPSR1EPHX1ACHE
SCHEMBL2185689 0.82 EPHX1 (0.63) RAB9AMAPTNPSR1EPHX1ACHE
SCHEMBL2185919 0.82 EPHX1 (0.63) RAB9AMAPTNPSR1EPHX1ACHE
SCHEMBL2185439 0.82 EPHX1 (0.63) RAB9AMAPTNPSR1EPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635742-B2 Crosslinking polyurethanes RHODIA CHIMIE (FR) 2009-12-22 US disclosed
US-20040073046-A1 Modified isocyanates RHODIA CHIMIE (FR) 2004-04-15 US disclosed
US-20030050424-A1 Modified isocyanates RHODIA CHIMIE (FR) 2003-03-13 US disclosed