⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9839007 | 0.78 | HTR2A (0.31) | — | |
| SCHEMBL15769012 | 0.76 | DAO (0.36) | — | |
| SCHEMBL3914835 | 0.74 | DAO (0.46) | — | |
| SCHEMBL7996165 | 0.74 | HRH3 (0.39) | — | |
| SCHEMBL7136842 | 0.73 | — | — | |
| SCHEMBL2642413 | 0.73 | — | — | |
| SCHEMBL1631007 | 0.73 | — | — | |
| SCHEMBL9840076 | 0.73 | — | — | |
| SCHEMBL3840575 | 0.71 | HRH3 (0.56) | — | |
| SCHEMBL9839010 | 0.68 | — | — |
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 |