⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11006771 | 1.00 | — | — | |
| SCHEMBL11006979 | 1.00 | — | — | |
| SCHEMBL11001562 | 0.89 | ACE (0.51) | — | |
| SCHEMBL10925957 | 0.87 | — | — | |
| SCHEMBL10925950 | 0.87 | — | — | |
| SCHEMBL10918354 | 0.84 | ACE (0.38) | — | |
| SCHEMBL7281057 | 0.83 | — | — | |
| SCHEMBL7281060 | 0.83 | — | — | |
| SCHEMBL10874663 | 0.83 | — | — | |
| SCHEMBL7281053 | 0.83 | — | — |
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-0035868-A1 | Bicyclic compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1981-09-16 | — | — | EP | claimed |
| US-4521607-A | HYPOTENSIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-06-04 | — | — | US | disclosed |
| EP-0035868-A1 | Bicyclic compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1981-09-16 | — | — | EP | disclosed |