⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL492196 | 0.78 | — | — | |
| SCHEMBL9830446 | 0.75 | — | — | |
| SCHEMBL28356166 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28741632 | 0.75 | — | — | |
| SCHEMBL3650467 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL5043231 | 0.75 | — | — | |
| SCHEMBL1577076 | 0.70 | — | — | |
| SCHEMBL3811251 | 0.69 | MEN1 (0.41) | — | |
| SCHEMBL5956978 | 0.69 | — | — | |
| SCHEMBL2220037 | 0.67 | ALDH1A1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4234848-A | — | — | None | — | — | JP | disclosed |
| JP-H04234848-A | NITROENAMINE DERIVATIVE | CIBA GEIGY AG | 1992-08-24 | — | — | JP | disclosed |
| CN-1055356-A | NITROENAMINE DERIVATIVES | CIBA GEIGY AG (CH) | 1991-10-16 | — | — | CN | disclosed |