⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL778096 | 0.77 | CA1 (0.42) | — | |
| SCHEMBL2801782 | 0.74 | — | — | |
| SCHEMBL776575 | 0.74 | — | — | |
| SCHEMBL4667979 | 0.72 | — | — | |
| SCHEMBL16046532 | 0.72 | CA1 (0.39) | — | |
| SCHEMBL24612803 | 0.72 | — | — | |
| SCHEMBL779221 | 0.72 | CA1 (0.39) | — | |
| SCHEMBL29278630 | 0.72 | — | — | |
| SCHEMBL16045058 | 0.72 | CA1 (0.39) | — | |
| SCHEMBL5365363 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5356915-A | Antihypertensive and bronchodilator agents | J. URIACH & CIA. S.A. (ES) | 1994-10-18 | — | — | US | disclosed |
| EP-0600147-A1 | Tetralones with pharmacological activity, compositions containing them and process for their preparation | J. URIACH & CIA. S.A. (ES) | 1994-06-08 | — | — | 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-0525768-A1 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1993-02-03 | — | — | EP | disclosed |
| EP-0489300-A2 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1992-06-10 | — | — | EP | disclosed |
| EP-0488301-A1 | New benzopyran compounds with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1992-06-03 | — | — | EP | disclosed |