⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6236876 | 0.87 | CYP2C19 (0.47) | — | |
| SCHEMBL5245072 | 0.86 | CYP2C19 (0.46) | — | |
| SCHEMBL11352624 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL3797316 | 0.84 | CYP2C19 (0.45) | — | |
| SCHEMBL5932913 | 0.84 | CYP2C19 (0.53) | — | |
| SCHEMBL27078262 | 0.83 | CYP2C19 (0.36) | — | |
| SCHEMBL5246124 | 0.83 | CYP2C19 (0.36) | — | |
| SCHEMBL5247170 | 0.82 | — | — | |
| SCHEMBL26465383 | 0.81 | CYP2C19 (0.50) | — | |
| SCHEMBL7323506 | 0.79 | TSHR (0.47) | — |
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 |