⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8382502 | 0.76 | — | — | |
| SCHEMBL13814758 | 0.67 | — | — | |
| SCHEMBL18257705 | 0.63 | — | — | |
| SCHEMBL5606390 | 0.61 | — | — | |
| SCHEMBL2430668 | 0.61 | TSHR (0.50) | — | |
| SCHEMBL4901795 | 0.61 | TSHR (0.50) | — | |
| SCHEMBL4950820 | 0.61 | TSHR (0.50) | — | |
| SCHEMBL10862 | 0.61 | — | — | |
| SCHEMBL3814841 | 0.61 | — | — | |
| SCHEMBL21300765 | 0.61 | MGAM (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0689539-B1 | ANTIPSYCHOTIC INDAZOLE DERIVATIVES | MERCK SHARP & DOHME (GB) | 1997-12-03 | — | — | EP | claimed |
| EP-0683773-B1 | HYPOLIPIDAEMIC CONDENSED 1,4-THIAZEPINES | WELLCOME FOUND (GB) | 1997-09-17 | — | — | EP | disclosed |