⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7406254 | 0.93 | — | — | |
| SCHEMBL6232293 | 0.93 | — | — | |
| SCHEMBL7404941 | 0.89 | — | — | |
| SCHEMBL1710324 | 0.89 | — | — | |
| SCHEMBL7402489 | 0.79 | — | — | |
| SCHEMBL6260334 | 0.79 | — | — | |
| SCHEMBL6235140 | 0.79 | — | — | |
| SCHEMBL2362307 | 0.73 | — | — | |
| SCHEMBL23493933 | 0.67 | THRB (0.35) | — | |
| SCHEMBL8679383 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6162828-A | IMMUNOLOGY; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS; BONE DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-12-19 | — | — | US | disclosed |
| EP-0820464-A2 | CYSTEINE PROTEASE INHIBITOR | Takeda Chemical Industries, Ltd. (JP) | 1998-01-28 | — | — | EP | disclosed |
| WO-1996030395-A2 | CYSTEINE PROTEASE INHIBITOR | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-03 | — | — | WO | disclosed |