⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7060690 | 0.92 | — | — | |
| SCHEMBL9508507 | 0.87 | TP53 (0.36) | — | |
| SCHEMBL7060687 | 0.80 | TP53 (0.42) | — | |
| SCHEMBL7060686 | 0.80 | TP53 (0.42) | — | |
| SCHEMBL8957164 | 0.78 | TP53 (0.40) | — | |
| SCHEMBL9509866 | 0.77 | SLC6A2 (0.35) | — | |
| SCHEMBL8957194 | 0.74 | — | — | |
| SCHEMBL9507594 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL9452762 | 0.71 | — | — | |
| SCHEMBL7056939 | 0.70 | PTGES (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0561878-A1 | USE OF ANGIOTENSIN II ANTAGONIST IN THE TREATMENT OF INFARCTION | SMITHKLINE BEECHAM PLC (GB) | 1993-09-29 | — | — | EP | disclosed |