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 SCHEMBL6064908 | 0.82 | — | — | |
| Methane SCHEMBL6064794 | 0.76 | — | — | |
| Methane SCHEMBL8536065 | 0.68 | — | — | |
| Methane SCHEMBL6064956 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL6064407 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7192298 | 0.61 | — | — | |
| Methane SCHEMBL7805219 | 0.60 | — | — | |
| Methane SCHEMBL7590794 | 0.60 | — | — | |
| Methane SCHEMBL8540030 | 0.60 | — | — | |
| Methane SCHEMBL6065039 | 0.59 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030092925-A1 | Metallocenes, polymerization catalyst systems, their preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 2003-05-15 | — | — | US | claimed |
| US-6187880-B1 | USING SOLID CATALYST SYSTEM PREPARED BY COMBINING A METALLOCENE WITH A SOLUTION OF AN ORGANOALUMINOXANE COCATALYST AND CONDUCTING PREPOLYMERIZATION TO PRODUCE A PREPOLYMERIZED SOLID | PHILLIPS PETROLEUM COMPANY | 2001-02-13 | — | — | US | claimed |
| US-6992035-B2 | Metallocenes, polymerization catalyst systems, their preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 2006-01-31 | — | — | US | disclosed |
| US-20030092925-A1 | Metallocenes, polymerization catalyst systems, their preparation, and use | PHILLIPS PETROLEUM COMPANY (US) | 2003-05-15 | — | — | US | disclosed |
| US-6187880-B1 | USING SOLID CATALYST SYSTEM PREPARED BY COMBINING A METALLOCENE WITH A SOLUTION OF AN ORGANOALUMINOXANE COCATALYST AND CONDUCTING PREPOLYMERIZATION TO PRODUCE A PREPOLYMERIZED SOLID | PHILLIPS PETROLEUM COMPANY | 2001-02-13 | — | — | US | disclosed |