⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6049833 | 0.76 | — | — | |
| SCHEMBL1680530 | 0.75 | — | — | |
| SCHEMBL5757035 | 0.74 | ACACB (0.30) | — | |
| SCHEMBL10568479 | 0.74 | LTA4H (0.36) | — | |
| SCHEMBL28617840 | 0.73 | — | — | |
| SCHEMBL28449660 | 0.71 | FAAH (0.32) | — | |
| SCHEMBL4920070 | 0.71 | CYP2D6 (0.44) | — | |
| SCHEMBL12394785 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL3123040 | 0.70 | — | — | |
| SCHEMBL446980 | 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-7829585-B2 | Antifungal agent containing pyridine derivative | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-11-09 | — | — | US | disclosed |
| US-20090062348-A1 | Antifungal Agent Containing Pyridine Derivative | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-03-05 | — | — | US | disclosed |
| EP-1864980-A1 | ANTIFUNGAL AGENT CONTAINING PYRIDINE DERIVATIVE | Eisai R&D Management Co., Ltd. (JP) | 2007-12-12 | — | — | EP | disclosed |