Methane

Methane

SCHEMBL2903398

C.C.C.CN=C=O.N=C=O.N=C=O.N=C=O

nearest known ligand 0.69

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
CASP1 P29466 1/20 0.69

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
Methane SCHEMBL131438 1.00 TSHR (0.69) TSHRCASP1
Methane SCHEMBL825425 1.00 TSHR (0.69) TSHRCASP1
Methane SCHEMBL29199821 1.00 TSHR (0.69) TSHRCASP1
SCHEMBL28561152 0.96 TSHR (0.75) TSHRCASP1
SCHEMBL28216787 0.96
SCHEMBL4148522 0.96 TSHR (0.75) TSHRCASP1
SCHEMBL28690518 0.96 TSHR (0.75) TSHRCASP1
Cyclohexane SCHEMBL28977553 0.90 TSHR (0.56) TSHRCASP1
Cyclohexane SCHEMBL6748666 0.90 TSHR (0.56) TSHRCASP1
Cyclohexane SCHEMBL28402579 0.86 TSHR (0.60) TSHRCASP1

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-1341832-B1 POLYURETHANE-PREPOLYMERS COMPRISING NCO GROUPS AND A LOW CONTENT OF MONOMERIC POLYISOCYANATE HENKEL AG & CO KGAA (DE) 2016-10-19 EP claimed
EP-1237971-B1 ADHESION PROMOTERS FOR MONOMER-FREE REACTIVE POLYURETHANES HENKEL AG & CO KGAA (DE) 2010-08-04 EP claimed
EP-1572772-B1 METHOD FOR PRODUCING POLYURETHANE PREPOLYMERS IN THE PRESENCE OF A CATALYST HENKEL KGAA (DE) 2006-09-06 EP claimed
US-6903167-B2 Polyurethane prepolymers comprising NCO groups and a low content of monomeric polyisocyanate HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-06-07 US claimed