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 | |
|---|---|---|---|---|
| Methane SCHEMBL8578944 | 0.86 | — | — | |
| Methane SCHEMBL8581360 | 0.82 | — | — | |
| Methane SCHEMBL8580443 | 0.79 | BCHE (0.32) | — | |
| Methane SCHEMBL6064781 | 0.77 | GPR3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9172101 | 0.74 | GPR3 (0.32) | — | |
| Methane SCHEMBL6065039 | 0.70 | — | — | |
| Methane SCHEMBL6557749 | 0.70 | BCHE (0.37) | — | |
| Hydrochloric Acid SCHEMBL3116458 | 0.69 | POLB (0.33) | — | |
| Hydrochloric Acid SCHEMBL4957540 | 0.69 | GPR3 (0.30) | — | |
| Methane SCHEMBL7940147 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5830958-A | Polynuclear metallocene preparation and use | PHILLIPS PETROLEUM COMPANY (US) | 1998-11-03 | — | — | US | disclosed |
| US-5705578-A | Method for making and using a supported metallocene catalyst system | PHILLIPS PETROLEUM COMPANY (US) | 1998-01-06 | — | — | US | disclosed |