⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1000536 | 0.97 | MGLL (0.39) | — | |
| SCHEMBL19047399 | 0.88 | — | — | |
| SCHEMBL13652381 | 0.77 | GABRA1 (0.41) | — | |
| SCHEMBL10580975 | 0.72 | — | — | |
| SCHEMBL11789835 | 0.72 | — | — | |
| SCHEMBL3605682 | 0.72 | CES2 (0.39) | — | |
| SCHEMBL12889684 | 0.71 | LMNA (0.37) | — | |
| SCHEMBL23547192 | 0.70 | CES2 (0.38) | — | |
| SCHEMBL11210860 | 0.70 | CES2 (0.38) | — | |
| SCHEMBL11211286 | 0.70 | CES2 (0.38) | — |
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 |