⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19393931 | 0.84 | KMT2A (0.35) | — | |
| SCHEMBL17964388 | 0.71 | — | — | |
| SCHEMBL1584819 | 0.71 | — | — | |
| SCHEMBL12252009 | 0.69 | — | — | |
| SCHEMBL3043 | 0.69 | — | — | |
| SCHEMBL2398125 | 0.69 | BRD4 (0.43) | — | |
| SCHEMBL210069 | 0.69 | — | — | |
| Benzene SCHEMBL28151588 | 0.69 | KMT2A (0.40) | — | |
| SCHEMBL10633097 | 0.67 | — | — | |
| SCHEMBL1826694 | 0.67 | — | — |
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 |