⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9531682 | 0.89 | KDM4E (0.43) | — | |
| SCHEMBL9531286 | 0.82 | — | — | |
| SCHEMBL9526922 | 0.79 | — | — | |
| SCHEMBL6064418 | 0.78 | GRIA2 (0.41) | — | |
| SCHEMBL9754055 | 0.78 | — | — | |
| SCHEMBL9846009 | 0.77 | SQOR (0.46) | — | |
| SCHEMBL9525955 | 0.77 | — | — | |
| SCHEMBL7803486 | 0.76 | — | — | |
| SCHEMBL9526766 | 0.76 | — | — | |
| SCHEMBL9846065 | 0.76 | APLNR (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0603712-B1 | Heterocyclic compounds having angiotensin II antagonistic activity and use thereof | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-08-16 | — | — | EP | disclosed |
| US-5496835-A | HYPOTENSIVE AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| EP-0603712-A2 | Heterocyclic compounds having angiotensin II antagonistic activity and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-06-29 | — | — | EP | disclosed |
| WO-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |