⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12328301 | 0.83 | ADH1B (0.31) | — | |
| SCHEMBL19383830 | 0.83 | ADH1B (0.31) | — | |
| SCHEMBL12328050 | 0.83 | — | — | |
| SCHEMBL8950168 | 0.81 | — | — | |
| SCHEMBL21615221 | 0.76 | HTR1A (0.33) | — | |
| SCHEMBL14608818 | 0.73 | — | — | |
| SCHEMBL2724335 | 0.70 | PIK3CD (0.32) | — | |
| SCHEMBL14595676 | 0.70 | — | — | |
| SCHEMBL2402938 | 0.70 | — | — | |
| SCHEMBL8950144 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188085-B2 | Antifungal agents | MERCK SHARP & DOHME CORP. (US) | 2012-05-29 | — | — | 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 |