⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6962720 | 0.90 | ADRB1 (0.34) | — | |
| SCHEMBL5852656 | 0.87 | GSK3B (0.32) | — | |
| SCHEMBL5853041 | 0.86 | GSK3B (0.31) | — | |
| SCHEMBL5852653 | 0.80 | TDP1 (0.32) | — | |
| SCHEMBL6973398 | 0.79 | — | — | |
| SCHEMBL6973234 | 0.78 | GSK3B (0.31) | — | |
| SCHEMBL6971688 | 0.78 | GSK3B (0.31) | — | |
| SCHEMBL5853119 | 0.77 | TACR1 (0.34) | — | |
| SCHEMBL6957035 | 0.76 | KCNA5 (0.35) | — | |
| SCHEMBL8109045 | 0.73 | PDE2A (0.32) | — |
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-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | claimed |
| EP-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |