⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14010694 | 0.73 | POLB (0.39) | — | |
| SCHEMBL13998090 | 0.72 | PTPN1 (0.41) | — | |
| SCHEMBL13998040 | 0.71 | PTPN1 (0.40) | — | |
| SCHEMBL13998091 | 0.67 | PTPN1 (0.39) | — | |
| SCHEMBL13998038 | 0.65 | POLB (0.36) | — | |
| SCHEMBL28252239 | 0.64 | PTPN1 (0.41) | — | |
| SCHEMBL13998196 | 0.61 | PTPN1 (0.53) | — | |
| SCHEMBL10042322 | 0.58 | HSP90AA1 (0.30) | — | |
| SCHEMBL7856180 | 0.52 | CA1 (0.35) | — | |
| SCHEMBL7912952 | 0.52 | CA1 (0.35) | — |
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-20080319042-A1 | Compositions and methods for treatment of liver disease | CALECO PHARMA CORP. | 2008-12-25 | — | — | US | disclosed |