⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4018271 | 0.84 | CYP1A2 (0.33) | — | |
| SCHEMBL4155956 | 0.81 | CYP2A6 (0.31) | — | |
| SCHEMBL4168887 | 0.78 | — | — | |
| SCHEMBL3058488 | 0.72 | GPR3 (0.48) | — | |
| SCHEMBL9694899 | 0.72 | GPR84 (0.34) | — | |
| SCHEMBL3685690 | 0.71 | HTT (0.50) | — | |
| Bromide SCHEMBL4018393 | 0.70 | HTT (0.49) | — | |
| SCHEMBL4177711 | 0.70 | — | — | |
| SCHEMBL4166534 | 0.70 | SLC11A2 (0.41) | — | |
| SCHEMBL10692795 | 0.68 | SLC22A12 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2061755-A1 | TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2009-05-27 | — | — | EP | disclosed |
| US-20090069408-A1 | TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2009-03-12 | — | — | US | disclosed |
| WO-2008109840-A1 | TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2008-09-12 | — | — | WO | disclosed |