⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6965880 | 0.94 | — | — | |
| SCHEMBL6973221 | 0.89 | GCGR (0.30) | — | |
| SCHEMBL6958518 | 0.88 | — | — | |
| SCHEMBL6975444 | 0.88 | — | — | |
| SCHEMBL6971878 | 0.87 | TLR8 (0.34) | — | |
| SCHEMBL6974422 | 0.87 | GCGR (0.31) | — | |
| SCHEMBL6972087 | 0.86 | — | — | |
| SCHEMBL6968844 | 0.86 | POLB (0.36) | — | |
| SCHEMBL6974517 | 0.85 | MEN1 (0.36) | — | |
| SCHEMBL6973018 | 0.84 | — | — |
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 | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |