⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL455333 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL919405 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL9301086 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL12803214 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL4451308 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL15124828 | 0.73 | CYP1A2 (0.39) | — | |
| SCHEMBL2937285 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL202530 | 0.72 | PTPN5 (0.33) | — | |
| SCHEMBL3473918 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL10622466 | 0.71 | PTPN5 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5342869-A | Monophosphonate, diphosphonate, phosphonate-phosphonite stabilizers against weathering | SANDOZ LTD. (CH) | 1994-08-30 | — | — | US | claimed |
| US-5342869-A | Monophosphonate, diphosphonate, phosphonate-phosphonite stabilizers against weathering | SANDOZ LTD. (CH) | 1994-08-30 | — | — | US | disclosed |