⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5030081 | 0.90 | HSD17B10 (0.33) | — | |
| SCHEMBL1781553 | 0.81 | — | — | |
| SCHEMBL3400816 | 0.80 | HSD17B10 (0.30) | — | |
| SCHEMBL2226549 | 0.78 | — | — | |
| SCHEMBL28853429 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL3925982 | 0.76 | — | — | |
| SCHEMBL64126 | 0.76 | — | — | |
| SCHEMBL9123116 | 0.76 | — | — | |
| SCHEMBL160479 | 0.74 | — | — | |
| Alcohol SCHEMBL28150448 | 0.73 | ALDH1A1 (0.40) | — |
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-20080038679-A1 | DEVELOPING AGENT AND MANUFACTURING METHOD THEREOF | KABUSHIKI KAISHA TOSHIBA (JP) | 2008-02-14 | — | — | US | disclosed |