⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1996348 | 0.73 | — | — | |
| SCHEMBL5178093 | 0.73 | — | — | |
| SCHEMBL13568656 | 0.67 | — | — | |
| SCHEMBL10911854 | 0.65 | TDP1 (0.41) | — | |
| SCHEMBL5651515 | 0.63 | — | — | |
| SCHEMBL11803858 | 0.63 | — | — | |
| SCHEMBL501742 | 0.63 | — | — | |
| SCHEMBL1960727 | 0.63 | — | — | |
| SCHEMBL10787738 | 0.61 | — | — | |
| SCHEMBL28385291 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104945280-A | Method for preparing vitamin B1 intermediate by sodium modification | JIANGSU BROTHER VITAMINS CO LTD | 2015-09-30 | — | — | CN | disclosed |