⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28122043 | 0.85 | MEN1 (0.47) | — | |
| SCHEMBL7194848 | 0.80 | — | — | |
| SCHEMBL17802199 | 0.80 | — | — | |
| SCHEMBL31133809 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL20238973 | 0.78 | MEN1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL19900969 | 0.78 | MEN1 (0.35) | — | |
| SCHEMBL2778683 | 0.76 | MEN1 (0.39) | — | |
| Deanol SCHEMBL609 | 0.72 | — | — | |
| Deanol SCHEMBL27486030 | 0.72 | MEN1 (0.50) | — | |
| SCHEMBL3641873 | 0.72 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2326172-B1 | ANTIFUNGAL AGENTS | SCYNEXIS INC (US) | 2014-10-22 | — | — | EP | disclosed |
| US-8722727-B2 | Antifungal agents | Seynix, Inc. (US) | 2014-05-13 | — | — | US | disclosed |
| 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-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-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 |
| US-20100113439-A1 | Antifungal agents | MERCK & CO., INC. (US) | 2010-05-06 | — | — | US | disclosed |
| WO-2010019206-A1 | ANTIFUNGAL AGENTS | MERCK SHARP & DOHME CORP. (US) | 2010-02-18 | — | — | WO | disclosed |
| WO-2010019203-A1 | ANTIFUNGAL AGENTS | MERCK SHARP & DOHME CORP. (US) | 2010-02-18 | — | — | WO | disclosed |
| WO-2010019204-A1 | ANTIFUNGAL AGENTS | MERCK SHARP & DOHME CORP. (US) | 2010-02-18 | — | — | WO | disclosed |