⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11631609 | 0.76 | — | — | |
| SCHEMBL11420995 | 0.76 | — | — | |
| SCHEMBL7863883 | 0.73 | — | — | |
| SCHEMBL11063171 | 0.73 | — | — | |
| SCHEMBL11059439 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28281732 | 0.73 | — | — | |
| SCHEMBL11825500 | 0.73 | — | — | |
| SCHEMBL1463143 | 0.72 | — | — | |
| SCHEMBL15978327 | 0.72 | — | — | |
| SCHEMBL3724340 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2343980-A1 | TRIAZOLE ANTIFUNGAL AGENTS | Wu, Nian (US) | 2011-07-20 | — | — | EP | disclosed |
| US-20100143455-A1 | Triazole antifungal agents | WU NIAN | 2010-06-10 | — | — | US | disclosed |
| WO-2010027496-A1 | TRIAZOLE ANTIFUNGAL AGENTS | WU NIAN (US) | 2010-03-11 | — | — | WO | disclosed |
| US-3985808-A | SECONDARY ALCOHOLS OR HALOHYDRINS REACTED WITH A HALOGEN | LEVER BROTHERS COMPANY (US) | 1976-10-12 | — | — | US | disclosed |
| US-3944568-A | Process for the preparation of selectively halogenated ketals | LEVER BROTHERS COMPANY (US) | 1976-03-16 | — | — | US | disclosed |