⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12500235 | 0.83 | — | — | |
| SCHEMBL12500265 | 0.81 | NOS2 (0.39) | — | |
| SCHEMBL14645674 | 0.71 | — | — | |
| SCHEMBL3370072 | 0.69 | — | — | |
| SCHEMBL7121778 | 0.65 | — | — | |
| SCHEMBL6263018 | 0.61 | — | — | |
| SCHEMBL9013005 | 0.59 | — | — | |
| SCHEMBL826082 | 0.59 | — | — | |
| SCHEMBL9013450 | 0.54 | — | — | |
| SCHEMBL3376292 | 0.53 | — | — |
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-0473387-A2 | Anti-fungal triazole derivatives, their preparation and uses | Sankyo Company Limited (JP) | 1992-03-04 | — | — | EP | claimed |
| US-5489606-A | FUNGICIDES, HUMAN, VETERNARY MEDICINE | SANKYO COMPANY, LIMITED (JP) | 1996-02-06 | — | — | US | disclosed |
| US-5393769-A | Thio-, sulfinyl- or sulfonyl-substituted | SANKYO COMPANY, LIMITED (JP) | 1995-02-28 | — | — | US | disclosed |
| EP-0473387-A2 | Anti-fungal triazole derivatives, their preparation and uses | Sankyo Company Limited (JP) | 1992-03-04 | — | — | EP | disclosed |