⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9477466 | 0.88 | — | — | |
| SCHEMBL9477459 | 0.88 | — | — | |
| SCHEMBL7981825 | 0.69 | — | — | |
| SCHEMBL8373451 | 0.69 | FKBP5 (0.32) | — | |
| SCHEMBL7156812 | 0.65 | — | — | |
| SCHEMBL7156814 | 0.65 | — | — | |
| SCHEMBL7999330 | 0.64 | FKBP5 (0.38) | — | |
| SCHEMBL7999329 | 0.64 | FKBP5 (0.38) | — | |
| SCHEMBL14483430 | 0.64 | — | — | |
| SCHEMBL436234 | 0.63 | — | — |
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-5270308-A | Hypotensives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-12-14 | — | — | US | disclosed |
| EP-0477789-A1 | 1,3-Benzoxazine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1992-04-01 | — | — | EP | disclosed |