⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL384098 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL199579 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL19086841 | 0.76 | — | — | |
| SCHEMBL2758663 | 0.75 | — | — | |
| SCHEMBL5019046 | 0.75 | — | — | |
| SCHEMBL19445841 | 0.73 | SLC6A4 (0.37) | — | |
| SCHEMBL5300474 | 0.73 | — | — | |
| SCHEMBL7672360 | 0.69 | — | — | |
| SCHEMBL14700205 | 0.69 | — | — | |
| SCHEMBL7672353 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7863465-B2 | Antifungal agents | MERCK SHARP & DOHME CORP. (US) | 2011-01-04 | — | — | US | disclosed |
| US-20080009504-A1 | Antifungal agents | SCYNEXIS, INC. | 2008-01-10 | — | — | US | disclosed |