⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5596763 | 0.87 | — | — | |
| SCHEMBL5596313 | 0.81 | HTR2C (0.37) | — | |
| SCHEMBL5597254 | 0.80 | PARP1 (0.33) | — | |
| SCHEMBL5596567 | 0.80 | GPBAR1 (0.33) | — | |
| SCHEMBL5597010 | 0.76 | HTR2C (0.39) | — | |
| SCHEMBL5596572 | 0.75 | HTR2B (0.38) | — | |
| SCHEMBL5596660 | 0.74 | — | — | |
| SCHEMBL5596759 | 0.72 | HTR2A (0.31) | — | |
| SCHEMBL5596448 | 0.72 | TP53 (0.41) | — | |
| SCHEMBL5597039 | 0.67 | FPR2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1829876-A1 | NITROGENEOUS TRICYCLIC COMPOUND | Asahi Kasei Pharma Corporation (JP) | 2007-09-05 | — | — | EP | disclosed |
| US-20060247266-A1 | Nitrogen-containing tricyclic compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2006-11-02 | — | — | US | disclosed |