⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5640613 | 0.71 | — | — | |
| SCHEMBL9840179 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL9840108 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL9839014 | 0.67 | — | — | |
| SCHEMBL9839874 | 0.67 | GABRA1 (0.38) | — | |
| SCHEMBL10975975 | 0.64 | L3MBTL1 (0.50) | — | |
| SCHEMBL675543 | 0.62 | — | — | |
| SCHEMBL9838960 | 0.62 | DAO (0.39) | — | |
| SCHEMBL9840348 | 0.61 | TRPV4 (0.36) | — | |
| SCHEMBL1515085 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0212600-B1 | NITROMETHYLENE DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 1991-11-27 | — | — | EP | disclosed |
| US-4812454-A | Nitromethylene derivatives and their use as insecticides | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-03-14 | — | — | US | disclosed |
| US-4772620-A | MITICIDES, PARASITICIDES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1988-09-20 | — | — | US | disclosed |
| EP-0212600-A2 | Nitromethylene derivatives | NIHON BAYER AGROCHEM K.K. (JP) | 1987-03-04 | — | — | EP | disclosed |