⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6810053 | 0.92 | PIK3CD (0.32) | — | |
| SCHEMBL6503484 | 0.78 | RET (0.33) | — | |
| SCHEMBL6490962 | 0.77 | KDM1A (0.32) | — | |
| SCHEMBL6504221 | 0.76 | HCRTR1 (0.33) | — | |
| SCHEMBL6503483 | 0.72 | RAF1 (0.31) | — | |
| SCHEMBL6492039 | 0.71 | HTR2A (0.35) | — | |
| SCHEMBL6810041 | 0.66 | TYK2 (0.35) | — | |
| SCHEMBL5410829 | 0.61 | HTR2A (0.51) | — | |
| SCHEMBL6490580 | 0.60 | DRD2 (0.34) | — | |
| SCHEMBL20473462 | 0.60 | SSTR4 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6849619-B2 | Substituted pyridoindoles as serotonin agonists and antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-02-01 | — | — | US | disclosed |
| US-20040186094-A1 | Substituted pyridoindoles as serotonin agonists and antagonists | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-09-23 | — | — | US | disclosed |