⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9160007 | 0.92 | — | — | |
| SCHEMBL9160015 | 0.92 | — | — | |
| SCHEMBL9379473 | 0.91 | — | — | |
| SCHEMBL9845667 | 0.90 | AGTR1 (0.58) | — | |
| SCHEMBL9402071 | 0.90 | PDE4A (0.64) | — | |
| SCHEMBL8546591 | 0.89 | — | — | |
| SCHEMBL8540525 | 0.89 | AGTR1 (0.63) | — | |
| SCHEMBL9432651 | 0.89 | — | — | |
| SCHEMBL8543518 | 0.89 | — | — | |
| SCHEMBL9845754 | 0.89 | AGTR1 (0.58) | — |
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-5304565-A | Angiotensin II antagonists | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-04-19 | — | — | US | disclosed |
| EP-0445811-A2 | Nitrogen-containing heterocyclic compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-09-11 | — | — | EP | disclosed |