⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10897831 | 0.80 | HPGD (0.39) | — | |
| SCHEMBL10897324 | 0.77 | USP2 (0.46) | — | |
| SCHEMBL11334531 | 0.76 | — | — | |
| SCHEMBL7055583 | 0.75 | PAK1 (0.44) | — | |
| SCHEMBL19243076 | 0.72 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL9706738 | 0.72 | ALOX15 (0.49) | — | |
| SCHEMBL22166085 | 0.70 | HSP90AA1 (0.52) | — | |
| SCHEMBL19705590 | 0.70 | CA12 (0.43) | — | |
| SCHEMBL19597423 | 0.70 | MAPT (0.39) | — | |
| Ethylamine SCHEMBL11359722 | 0.70 | HSP90AA1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011161131-A1 | HERBICIDAL MIXTURES | BASF SE (DE) | 2011-12-29 | — | — | WO | claimed |
| CN-107922604-B | Novel formulations for pressure sensitive adhesives | 雷普索尔有限公司 | 2020-08-28 | — | — | CN | disclosed |
| US-20050003371-A1 | Modified nucleotides and methods of labeling nucleic acids | STRATAGENE | 2005-01-06 | — | — | US | disclosed |
| EP-0272533-A2 | Substituted phenoxypyridines | BAYER AG (DE) | 1988-06-29 | — | — | EP | disclosed |