⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4019278 | 0.77 | CYP4F2 (0.34) | — | |
| SCHEMBL29516631 | 0.72 | CA12 (0.39) | — | |
| SCHEMBL4168914 | 0.70 | — | — | |
| SCHEMBL489929 | 0.70 | RIPK1 (0.41) | — | |
| SCHEMBL25434697 | 0.68 | PKM (0.32) | — | |
| SCHEMBL28540474 | 0.68 | GPR84 (0.39) | — | |
| SCHEMBL30933494 | 0.68 | PKM (0.32) | — | |
| SCHEMBL5487052 | 0.67 | IDO1 (0.46) | — | |
| SCHEMBL120092 | 0.67 | IDO1 (0.46) | — | |
| SCHEMBL31139277 | 0.67 | IDO1 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090069408-A1 | TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2009-03-12 | — | — | US | disclosed |