⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11413206 | 0.86 | ADH1B (0.50) | — | |
| SCHEMBL6756345 | 0.86 | — | — | |
| SCHEMBL12519632 | 0.86 | ADH1B (0.50) | — | |
| SCHEMBL269241 | 0.79 | — | — | |
| SCHEMBL6758642 | 0.78 | ADH1B (0.43) | — | |
| SCHEMBL19278645 | 0.76 | — | — | |
| SCHEMBL3695740 | 0.75 | OPRM1 (0.41) | — | |
| SCHEMBL3038175 | 0.75 | — | — | |
| SCHEMBL16297572 | 0.75 | ADH1B (0.46) | — | |
| SCHEMBL13066109 | 0.75 | — | — |
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-8222255-B2 | Antifungal agents | MERCK SHARP & DOHME CORP. (US) | 2012-07-17 | — | — | US | disclosed |
| US-20110172225-A1 | ANTIFUNGAL AGENTS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | US | disclosed |
| WO-2009007390-A2 | 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |