⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14992450 | 0.72 | — | — | |
| SCHEMBL5213699 | 0.72 | — | — | |
| SCHEMBL10354635 | 0.72 | — | — | |
| SCHEMBL1008991 | 0.72 | — | — | |
| SCHEMBL10703517 | 0.69 | — | — | |
| SCHEMBL10324278 | 0.69 | — | — | |
| SCHEMBL11146185 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL9572187 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL9572183 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL13820416 | 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 |
|---|---|---|---|---|---|---|---|
| US-20090181942-A1 | TRICYCLIC COMPOUNDS | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-07-16 | — | — | US | disclosed |
| EP-1939205-A1 | TRICYCLIC COMPOUND | Daiichi Sankyo Company, Limited (JP) | 2008-07-02 | — | — | EP | disclosed |