⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5418609 | 0.89 | POLQ (0.38) | — | |
| SCHEMBL31061499 | 0.69 | TSPO (0.54) | — | |
| SCHEMBL5425119 | 0.69 | TSPO (0.53) | — | |
| SCHEMBL5425412 | 0.67 | POLQ (0.40) | — | |
| SCHEMBL5422139 | 0.67 | TSPO (0.52) | — | |
| SCHEMBL5417355 | 0.66 | TSPO (0.50) | — | |
| SCHEMBL5419202 | 0.65 | TSPO (0.40) | — | |
| SCHEMBL5416189 | 0.64 | TSPO (0.53) | — | |
| SCHEMBL5430217 | 0.64 | HTR1A (0.45) | — | |
| SCHEMBL14426262 | 0.64 | KDM4E (0.37) | — |
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-20070191447-A1 | Novel heterocyclic compound | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2007-08-16 | — | — | US | disclosed |
| EP-1719761-A1 | NOVEL HETEROCYCLIC COMPOUND | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2006-11-08 | — | — | EP | disclosed |