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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7185531 | 0.77 | GPR3 (0.34) | — | |
| Methane SCHEMBL6557734 | 0.74 | GAA (0.38) | — | |
| Hydrochloric Acid SCHEMBL9070577 | 0.73 | GPR3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6553489 | 0.73 | MYC (0.30) | — | |
| Methane SCHEMBL6558618 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6553530 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6555613 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6554992 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL5695993 | 0.68 | NPSR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL27513924 | 0.66 | GPR3 (0.35) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705851-B9 | Catalyst systems and process for producing broad molecular weight distribution polyolefin | CONOCOPHILLIPS CO (US) | 2004-08-11 | — | — | EP | disclosed |
| EP-0705851-B1 | Catalyst systems and process for producing broad molecular weight distribution polyolefin | CONOCOPHILLIPS CO (US) | 2004-01-21 | — | — | EP | disclosed |
| US-5710224-A | CATALYTIC POLYMERIZATION OF ETHYLENE USING FLUORENE INDENYL ETHANE ZIRCONIUM DICHLORIDE WITH METALLOCENE | PHILLIPS PETROLEUM COMPANY (US) | 1998-01-20 | — | — | US | disclosed |
| US-5594078-A | BRIDGED FLUORENYL METALLOCENE CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0729978-A1 | Polyethylene and method for production thereof | PHILLIPS PETROLEUM COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5534473-A | METALLOCENES AND COCATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-07-09 | — | — | US | disclosed |
| EP-0705851-A2 | Catalyst systems and process for producing broad molecular weight distribution polyolefin | PHILLIPS PETROLEUM COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |