⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3992639 | 0.86 | — | — | |
| SCHEMBL3988603 | 0.78 | — | — | |
| SCHEMBL1008657 | 0.74 | — | — | |
| SCHEMBL1936576 | 0.74 | — | — | |
| SCHEMBL1937068 | 0.74 | — | — | |
| SCHEMBL7085088 | 0.70 | — | — | |
| SCHEMBL5309479 | 0.70 | — | — | |
| SCHEMBL7553493 | 0.67 | — | — | |
| SCHEMBL1937463 | 0.63 | — | — | |
| SCHEMBL1935381 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0371312-B1 | Benzoxazine derivatives | MERCK PATENT GMBH (DE) | 1994-07-20 | — | — | EP | disclosed |
| US-5272170-A | Tetralones with pharmacological activity | J. URIACH & CIA., S.A. (ES) | 1993-12-21 | — | — | US | disclosed |
| US-5208246-A | Hypotensive, bronchodilator | J. URIACH & CIA. (ES) | 1993-05-04 | — | — | US | disclosed |
| EP-0489300-A2 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1992-06-10 | — | — | EP | disclosed |
| US-5036068-A | Cardiovascular disorders | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-07-30 | — | — | US | disclosed |
| EP-0371312-A1 | Benzoxazine derivatives | MERCK PATENT GmbH (DE) | 1990-06-06 | — | — | EP | disclosed |