⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3476547 | 0.80 | CYP1A2 (0.31) | — | |
| SCHEMBL29086344 | 0.79 | CYP1B1 (0.32) | — | |
| SCHEMBL1680633 | 0.78 | — | — | |
| SCHEMBL22482074 | 0.76 | MTNR1A (0.46) | — | |
| SCHEMBL3422949 | 0.76 | ALDH1A1 (0.49) | — | |
| SCHEMBL6012846 | 0.76 | — | — | |
| SCHEMBL7704422 | 0.74 | CYP1B1 (0.32) | — | |
| SCHEMBL26113653 | 0.73 | — | — | |
| SCHEMBL7027055 | 0.73 | FAAH (0.38) | — | |
| SCHEMBL7029638 | 0.73 | FAAH (0.38) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | NAKAMOTO KAZUTAKA | 2011-08-11 | — | — | US | disclosed |
| US-7932272-B2 | Antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-04-26 | — | — | US | disclosed |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1782811-A1 | NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-05-09 | — | — | EP | disclosed |
| EP-1669348-A1 | NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND | Eisai Co., Ltd. (JP) | 2006-06-14 | — | — | EP | disclosed |