⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6134439 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL13276440 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL60409 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL10530234 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL6245109 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL6469498 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL3225586 | 0.74 | — | — | |
| SCHEMBL8732941 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL535863 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL3708709 | 0.74 | ALDH1A1 (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050261177-A1 | Compound | ASTELLAS PHARMA INC. (JP) | 2005-11-24 | — | — | US | disclosed |