⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21646643 | 0.73 | CA12 (0.32) | — | |
| SCHEMBL294541 | 0.71 | — | — | |
| SCHEMBL536550 | 0.71 | — | — | |
| SCHEMBL2455145 | 0.71 | — | — | |
| SCHEMBL9974274 | 0.70 | DYRK1A (0.39) | — | |
| SCHEMBL256698 | 0.69 | — | — | |
| SCHEMBL15121168 | 0.68 | — | — | |
| SCHEMBL22183930 | 0.67 | — | — | |
| SCHEMBL1656403 | 0.67 | — | — | |
| SCHEMBL13547964 | 0.67 | — | — |
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-4093792-A | Copolymerization product of N-vinylmethylpyrazole and divinyl cross-linking agent and method of preparing same | BRATSLAVSKAYA ALLA LVOVNA | 1978-06-06 | — | — | US | disclosed |