⚠ 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 SCHEMBL29707679 | 0.94 | — | — | |
| Nitromethane SCHEMBL525 | 0.94 | — | — | |
| Nitromethane SCHEMBL27366359 | 0.94 | — | — | |
| Nitromethane SCHEMBL17162023 | 0.89 | — | — | |
| Nitromethane SCHEMBL10735049 | 0.89 | — | — | |
| Nitromethane SCHEMBL3012923 | 0.89 | — | — | |
| Nitromethane SCHEMBL1890507 | 0.89 | — | — | |
| Nitromethane SCHEMBL8204968 | 0.89 | — | — | |
| Nitromethane SCHEMBL4074203 | 0.89 | — | — | |
| Nitromethane SCHEMBL1980079 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0649401-B1 | PROCESS FOR THE PRODUCTION AND RECOVERY OF HALONITROALKANES IN HIGH YIELD | GREAT LAKES CHEMICAL CORP (US) | 1997-10-15 | — | — | EP | disclosed |
| EP-0649401-A1 | PROCESS FOR THE PRODUCTION AND RECOVERY OF HALONITROALKANES IN HIGH YIELD. | GREAT LAKES CHEMICAL CORP (US) | 1995-04-26 | — | — | EP | disclosed |
| EP-0649401-A4 | PROCESS FOR THE PRODUCTION AND RECOVERY OF HALONITROALKANES IN HIGH YIELD. | GREAT LAKES CHEMICAL CORP (US) | 1995-03-01 | — | — | EP | disclosed |
| WO-1994001391-A1 | PROCESS FOR THE PRODUCTION AND RECOVERY OF HALONITROALKANES IN HIGH YIELD | GREAT LAKES CHEMICAL CORPORATION (US) | 1994-01-20 | — | — | WO | disclosed |
| US-5180859-A | Acidification | GREAT LAKES CHEMICAL CORPORATION (US) | 1993-01-19 | — | — | US | disclosed |