⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11173506 | 0.82 | MAPT (0.56) | — | |
| SCHEMBL7847379 | 0.79 | MAPT (0.53) | — | |
| SCHEMBL11081958 | 0.77 | MAPT (0.51) | — | |
| SCHEMBL6240280 | 0.76 | — | — | |
| SCHEMBL181852 | 0.76 | — | — | |
| SCHEMBL6597634 | 0.76 | MAPT (0.50) | — | |
| SCHEMBL2360918 | 0.73 | MAPT (0.56) | — | |
| SCHEMBL6073396 | 0.73 | MAPT (0.61) | — | |
| SCHEMBL2558479 | 0.73 | GSK3A (0.47) | — | |
| SCHEMBL1692808 | 0.73 | MAPT (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0767790-A1 | CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1997-04-16 | — | — | EP | disclosed |
| WO-1995035296-A1 | CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-12-28 | — | — | WO | disclosed |