⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3756670 | 0.77 | DAO (0.39) | — | |
| SCHEMBL31508083 | 0.77 | CA12 (0.41) | — | |
| SCHEMBL9840076 | 0.76 | — | — | |
| SCHEMBL31207468 | 0.75 | GBA1 (0.41) | — | |
| SCHEMBL22719068 | 0.75 | TRPA1 (0.43) | — | |
| SCHEMBL23600947 | 0.75 | CCR1 (0.43) | — | |
| SCHEMBL31469752 | 0.75 | TRPA1 (0.43) | — | |
| SCHEMBL23148799 | 0.75 | GBA1 (0.41) | — | |
| SCHEMBL9839007 | 0.72 | HTR2A (0.31) | — | |
| SCHEMBL8015449 | 0.72 | ALDH1A1 (0.31) | — |
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 |