⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22471941 | 0.72 | — | — | |
| SCHEMBL467759 | 0.72 | — | — | |
| SCHEMBL28933410 | 0.67 | — | — | |
| SCHEMBL11041527 | 0.67 | — | — | |
| SCHEMBL30168812 | 0.65 | — | — | |
| SCHEMBL2240198 | 0.62 | — | — | |
| SCHEMBL467604 | 0.57 | — | — | |
| SCHEMBL22471947 | 0.57 | — | — | |
| SCHEMBL15514320 | 0.57 | — | — | |
| SCHEMBL16610470 | 0.55 | — | — |
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-0162217-A1 | 1,2,4-Triazacycloalcadiene derivatives | CIBA-GEIGY AG (CH) | 1985-11-27 | — | — | EP | disclosed |
| US-4451471-A | Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same | CIBA-GEIGY CORPORATION (US) | 1984-05-29 | — | — | US | disclosed |
| EP-0061425-A2 | Thiazole derivatives, processes for their preparation, medicaments containing them and their use | CIBA-GEIGY AG (CH) | 1982-09-29 | — | — | EP | disclosed |