⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11568722 | 0.89 | GABRA1 (0.36) | — | |
| SCHEMBL10798876 | 0.87 | MEN1 (0.34) | — | |
| SCHEMBL11571038 | 0.87 | LMNA (0.36) | — | |
| Methylamine SCHEMBL11569839 | 0.85 | CYP3A4 (0.32) | — | |
| SCHEMBL11568383 | 0.85 | KMT2A (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL11568377 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL11380871 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL11375965 | 0.85 | MEN1 (0.33) | — | |
| SCHEMBL10796701 | 0.81 | GABRA1 (0.40) | — | |
| Ethylamine SCHEMBL11570002 | 0.81 | POLB (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0003880-A1 | Substituted phenylnitramines with plant growth regulating properties | AMERICAN CYANAMID COMPANY (US) | 1979-09-05 | — | — | EP | disclosed |