⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23104815 | 0.78 | ALPL (0.30) | — | |
| SCHEMBL14154836 | 0.73 | — | — | |
| SCHEMBL24242228 | 0.73 | — | — | |
| SCHEMBL24857218 | 0.68 | — | — | |
| SCHEMBL18923084 | 0.67 | — | — | |
| SCHEMBL22927904 | 0.67 | — | — | |
| SCHEMBL22280915 | 0.67 | — | — | |
| SCHEMBL10147712 | 0.67 | — | — | |
| SCHEMBL24857173 | 0.67 | — | — | |
| SCHEMBL3018569 | 0.67 | — | — |
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 5 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 |
| EP-2326180-B1 | ANTIFUNGAL AGENTS | MERCK SHARP & DOHME (US) | 2013-10-16 | — | — | EP | disclosed |
| EP-2007396-B1 | Enfumafungin derivatives as antifungal agents | MERCK SHARP & DOHME (US) | 2013-02-13 | — | — | EP | disclosed |
| US-20120245155-A1 | FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP | SHIONOGI & CO., LTD. (JP) | 2012-09-27 | — | — | US | disclosed |
| US-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-01-19 | — | — | US | disclosed |