⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL329462 | 0.57 | — | — | |
| SCHEMBL6718535 | 0.57 | — | — | |
| SCHEMBL11655643 | 0.55 | — | — | |
| SCHEMBL1884889 | 0.53 | — | — | |
| Phloroglucinol SCHEMBL483877 | 0.44 | BACE1 (0.73) | — | |
| SCHEMBL6360329 | 0.44 | — | — | |
| SCHEMBL20891 | 0.44 | — | — | |
| Phloroglucinol SCHEMBL2889628 | 0.43 | BACE1 (1.00) | — | |
| SCHEMBL10036543 | 0.42 | — | — | |
| SCHEMBL2509681 | 0.42 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651631-A1 | BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE | GENELABS TECHNOLOGIES, INC. (US) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005012288-A1 | BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE | GENELABS TECHNOLOGIES, INC (US) | 2005-02-10 | — | — | WO | disclosed |