⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20504145 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL9490210 | 0.69 | GAA (0.31) | — | |
| SCHEMBL18650615 | 0.68 | — | — | |
| SCHEMBL9885323 | 0.67 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL11697946 | 0.67 | — | — | |
| SCHEMBL18480151 | 0.65 | EPHX1 (0.35) | — | |
| SCHEMBL9820126 | 0.64 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL9820157 | 0.63 | EPHX1 (0.33) | — | |
| SCHEMBL1661785 | 0.63 | EPHX1 (0.39) | — | |
| SCHEMBL16236817 | 0.61 | EPHX1 (0.32) | — |
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-0312773-B1 | SUBSTITUTED 3-AMINOSYDNONIMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE | CASSELLA Aktiengesellschaft (DE) | 1991-12-27 | — | — | EP | disclosed |
| US-4937244-A | HYPOTENSIVE AND CARDIOTONIC AGENTS; ANGINA PECTORIS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1990-06-26 | — | — | US | disclosed |
| EP-0312773-A2 | Substituted 3-aminosydnonimines, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1989-04-26 | — | — | EP | disclosed |