⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8622945 | 0.92 | MMP1 (0.31) | — | |
| SCHEMBL10930583 | 0.92 | MMP1 (0.31) | — | |
| SCHEMBL6190151 | 0.81 | — | — | |
| SCHEMBL28604254 | 0.79 | — | — | |
| SCHEMBL8772185 | 0.79 | — | — | |
| SCHEMBL1627502 | 0.78 | PPARA (0.38) | — | |
| SCHEMBL7444210 | 0.78 | — | — | |
| SCHEMBL9670653 | 0.78 | LMNA (0.34) | — | |
| SCHEMBL6855585 | 0.78 | — | — | |
| SCHEMBL9671675 | 0.78 | LMNA (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0767790-B1 | CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-12-12 | — | — | EP | disclosed |
| US-5840732-A | ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 1998-11-24 | — | — | US | disclosed |
| US-5654431-A | EXHIBIT SELECTIVITY TOWARDS 5-HYDROXYTRYPTAMINE RECEPTORS OF BRAIN CELLS | ALLELIX BIOPHARMACEUTICALS INC. (CA) | 1997-08-05 | — | — | US | disclosed |