⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14661289 | 1.00 | — | — | |
| SCHEMBL1930358 | 0.81 | CYP2D6 (0.33) | — | |
| SCHEMBL9175639 | 0.79 | — | — | |
| SCHEMBL9093991 | 0.79 | — | — | |
| SCHEMBL9538329 | 0.79 | — | — | |
| SCHEMBL8328045 | 0.77 | — | — | |
| SCHEMBL16343757 | 0.76 | — | — | |
| SCHEMBL16243479 | 0.76 | — | — | |
| SCHEMBL16344424 | 0.76 | — | — | |
| SCHEMBL6087533 | 0.75 | — | — |
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-7566699-B2 | Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-28 | — | — | US | disclosed |
| US-20060247179-A1 | Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2006-11-02 | — | — | US | disclosed |