⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1841901 | 0.87 | JAK2 (0.41) | — | |
| SCHEMBL1844687 | 0.87 | JAK2 (0.38) | — | |
| SCHEMBL1844685 | 0.87 | JAK2 (0.41) | — | |
| SCHEMBL1841902 | 0.87 | JAK2 (0.38) | — | |
| SCHEMBL1842297 | 0.74 | USP30 (0.40) | — | |
| SCHEMBL1846814 | 0.74 | JAK2 (0.41) | — | |
| SCHEMBL5132990 | 0.74 | JAK2 (0.41) | — | |
| SCHEMBL6491258 | 0.70 | DRD2 (0.33) | — | |
| SCHEMBL6810428 | 0.70 | DRD2 (0.34) | — | |
| SCHEMBL6490580 | 0.70 | DRD2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1581221-B1 | SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2011-05-18 | — | — | EP | disclosed |