⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8801608 | 1.00 | — | — | |
| SCHEMBL11735834 | 0.81 | — | — | |
| SCHEMBL459531 | 0.81 | — | — | |
| SCHEMBL6829129 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL566952 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL51611 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL8868248 | 0.78 | — | — | |
| SCHEMBL14344854 | 0.78 | — | — | |
| SCHEMBL9553803 | 0.75 | — | — | |
| SCHEMBL9553811 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0254859-B1 | ALKYLENE DIAMINES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1990-08-01 | — | — | EP | disclosed |
| US-4806553-A | Pyridyl alkylenediamine compounds insecticidal | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-02-21 | — | — | US | disclosed |
| EP-0254859-A2 | Alkylene diamines | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1988-02-03 | — | — | EP | disclosed |