⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55947 | 0.56 | — | — | |
| SCHEMBL3338127 | 0.50 | — | — | |
| SCHEMBL1652442 | 0.46 | — | — | |
| SCHEMBL67632 | 0.46 | — | — | |
| SCHEMBL1868232 | 0.46 | — | — | |
| SCHEMBL3445539 | 0.46 | — | — | |
| SCHEMBL11023298 | 0.46 | — | — | |
| SCHEMBL8775933 | 0.43 | — | — | |
| SCHEMBL336846 | 0.42 | — | — | |
| SCHEMBL17301151 | 0.42 | ALDH1A1 (0.41) | — |
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-5750544-A | CARDIOVASCULAR DISORDERS; ANTIISCHEMIC AGENTS; BRAIN DISORDERS; ANTIASTHMA AGENTS; ANTIINFLAMMATOREY AGENTS; ANTIULCER AGENTS; SKIN DISORDERS; ANTALLERGENS | ONO PHARMACEUTICALS CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| US-5534536-A | INHIBITORS OF THROMBOXANE A2 SYNTHETASE, 5-LIPOXYGENASE; SCAVENGERS OF ACTIVE OXYGEN SPECIES | ONO PHARMACEUTICALS CO. LTD. (JP) | 1996-07-09 | — | — | US | disclosed |