⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1034236 | 0.78 | — | — | |
| SCHEMBL1976400 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL11123701 | 0.78 | TSHR (0.41) | — | |
| Ethane SCHEMBL10598555 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL6963815 | 0.76 | — | — | |
| SCHEMBL4678989 | 0.76 | — | — | |
| SCHEMBL5187368 | 0.76 | — | — | |
| SCHEMBL4676845 | 0.75 | — | — | |
| SCHEMBL587102 | 0.74 | TSHR (0.54) | — | |
| SCHEMBL22830358 | 0.74 | TSHR (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719141-A | HYPOTENSIVE AGENTS | NOVARTIS CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |
| EP-0702004-A2 | 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives | CIBA-GEIGY AG (CH) | 1996-03-20 | — | — | EP | disclosed |