⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8370741 | 1.00 | — | — | |
| SCHEMBL23026398 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL21700183 | 0.75 | CYP1A2 (0.33) | — | |
| SCHEMBL905769 | 0.73 | — | — | |
| SCHEMBL964999 | 0.73 | AAK1 (0.32) | — | |
| SCHEMBL10580520 | 0.73 | — | — | |
| SCHEMBL277362 | 0.71 | — | — | |
| SCHEMBL1630400 | 0.71 | — | — | |
| SCHEMBL14837532 | 0.71 | — | — | |
| SCHEMBL15314520 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8722727-B2 | Antifungal agents | Seynix, Inc. (US) | 2014-05-13 | — | — | US | disclosed |
| US-8188085-B2 | Antifungal agents | MERCK SHARP & DOHME CORP. (US) | 2012-05-29 | — | — | US | disclosed |
| US-20110224228-A1 | ANTIFUNGAL AGENTS | MERCK SHARP & DOHME CORP. (US) | 2011-09-15 | — | — | US | disclosed |
| US-20100113439-A1 | Antifungal agents | MERCK & CO., INC. (US) | 2010-05-06 | — | — | US | disclosed |