⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17969973 | 0.70 | — | — | |
| SCHEMBL23505986 | 0.69 | — | — | |
| Bromide SCHEMBL28821481 | 0.69 | — | — | |
| SCHEMBL15835891 | 0.67 | — | — | |
| SCHEMBL14340335 | 0.67 | — | — | |
| SCHEMBL12736524 | 0.67 | — | — | |
| SCHEMBL9852792 | 0.65 | — | — | |
| SCHEMBL18597612 | 0.65 | — | — | |
| SCHEMBL21033405 | 0.65 | — | — | |
| SCHEMBL11839609 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6812238-B1 | WATER SOLUBLE FUNGICIDES FOR SYSTEMIC MYCOSES; ORAL AND PARENTERAL ADMINISTRATION | BASILEA PHARMACEUTICA AG (CH) | 2004-11-02 | — | — | US | disclosed |