Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Nitromethane. 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 | |
|---|---|---|---|---|
| Nitromethane SCHEMBL5593598 | 0.90 | — | — | |
| Nitromethane SCHEMBL11049971 | 0.90 | — | — | |
| Nitromethane SCHEMBL28277582 | 0.90 | — | — | |
| Nitromethane SCHEMBL11049968 | 0.90 | — | — | |
| Nitromethane SCHEMBL27366359 | 0.89 | — | — | |
| Nitromethane SCHEMBL29707679 | 0.89 | — | — | |
| Nitromethane SCHEMBL525 | 0.89 | — | — | |
| Nitromethane SCHEMBL10735049 | 0.84 | — | — | |
| Nitromethane SCHEMBL3012923 | 0.84 | — | — | |
| Nitromethane SCHEMBL8771927 | 0.84 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6846885-B2 | Process for the preparation of isoolefin copolymers | BAYER AKTIENGESELLSCHAFT (DE) | 2005-01-25 | — | — | US | disclosed |
| US-20030199647-A1 | Process for the preparation of isoolefin copolymers | LANXESS DEUTSCHLAND GMBH (DE) | 2003-10-23 | — | — | US | disclosed |
| US-6562916-B2 | In the presence of zirconium or hafnium halides and organic nitro compounds | BAYER AKTIENGESELLSCHAFT (DE) | 2003-05-13 | — | — | US | disclosed |
| US-20020086959-A1 | Process for the preparation of isoolefin copolymers | LANXESS DEUTSCHLAND GMBH (DE) | 2002-07-04 | — | — | US | disclosed |