⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28250028 | 1.00 | — | — | |
| SCHEMBL362 | 0.96 | — | — | |
| Methane SCHEMBL28231703 | 0.92 | — | — | |
| Potassium SCHEMBL10628380 | 0.92 | — | — | |
| SCHEMBL27985334 | 0.92 | — | — | |
| SCHEMBL10790464 | 0.92 | — | — | |
| Butadiene SCHEMBL11669047 | 0.88 | — | — | |
| Benzene SCHEMBL27433682 | 0.85 | FBP1 (0.40) | — | |
| Methylamine SCHEMBL27615161 | 0.85 | — | — | |
| Dimethylamine SCHEMBL4406313 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994012491-A1 | ARTHROPODICIDAL NITROETHYLENE DIAMINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-06-09 | — | — | WO | disclosed |
| EP-0104423-A1 | 2-Nitro-ethene diamines, process for their preparation and their use as medicines | BAYER AG (DE) | 1984-04-04 | — | — | EP | disclosed |