Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Methane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL193080 | 0.98 | — | — | |
| Methane SCHEMBL2439799 | 0.98 | — | — | |
| Bromide SCHEMBL582480 | 0.98 | — | — | |
| Bromide SCHEMBL28471019 | 0.96 | — | — | |
| Fluoride SCHEMBL26122977 | 0.96 | ABCB11 (0.39) | — | |
| Fluoride SCHEMBL28437282 | 0.96 | ABCB11 (0.39) | — | |
| SCHEMBL28238039 | 0.96 | ABCB11 (0.39) | — | |
| SCHEMBL34968 | 0.96 | ABCB11 (0.39) | — | |
| Fluoride SCHEMBL28788477 | 0.96 | ABCB11 (0.39) | — | |
| Bromide SCHEMBL28213694 | 0.94 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104759258-B | The preparation of bromination 1 butyl 3 Methylimidazole. modified carbon fiber adsorbent | 济南大学 | 2017-03-08 | — | — | CN | disclosed |