Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL7942772 | 0.96 | — | — | |
| Methane SCHEMBL5348855 | 0.89 | GPR3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL524858 | 0.87 | GPR3 (0.33) | — | |
| Cyclopentane SCHEMBL6557619 | 0.84 | BCHE (0.33) | — | |
| Fluoride Ion SCHEMBL1130995 | 0.84 | GPR3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7180983 | 0.83 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7621841 | 0.83 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7193187 | 0.82 | GAA (0.35) | — | |
| Hydrochloric Acid SCHEMBL2484390 | 0.82 | CHRM2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL2481593 | 0.82 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1123938-A2 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 2001-08-16 | — | — | EP | disclosed |
| EP-0672675-A1 | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-09-20 | — | — | EP | disclosed |
| US-5451649-A | Organometallic fluorenyl compounds, preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 1995-09-19 | — | — | US | disclosed |