⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8954344 | 0.88 | — | — | |
| SCHEMBL8954121 | 0.83 | TP53 (0.41) | — | |
| SCHEMBL9696380 | 0.81 | TP53 (0.43) | — | |
| SCHEMBL8954072 | 0.79 | TP53 (0.41) | — | |
| SCHEMBL8954177 | 0.79 | TP53 (0.42) | — | |
| SCHEMBL8954244 | 0.76 | ALOX5AP (0.38) | — | |
| SCHEMBL9529761 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL9473192 | 0.76 | CCR2 (0.45) | — | |
| SCHEMBL7054174 | 0.74 | TP53 (0.48) | — | |
| SCHEMBL8954183 | 0.74 | TP53 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5530017-A | CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA | SMITHKLINE BEECHAM CORP (US) | 1996-06-25 | — | — | US | disclosed |
| US-5444080-A | Hypotensive agents | SMITHKLINE BEECHAM CORPORATION (US) | 1995-08-22 | — | — | US | disclosed |
| EP-0541705-A4 | SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS | — | 1993-11-10 | — | — | EP | disclosed |
| EP-0541705-A1 | SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-05-19 | — | — | EP | disclosed |