⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL285986 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28198858 | 0.94 | — | — | |
| SCHEMBL10564203 | 0.82 | KDM4E (0.50) | — | |
| Bicarbonate SCHEMBL7534308 | 0.76 | KDM4E (0.48) | — | |
| Hydrogen Peroxide SCHEMBL1310659 | 0.75 | — | — | |
| SCHEMBL9419864 | 0.75 | — | — | |
| SCHEMBL112095 | 0.75 | — | — | |
| SCHEMBL11805581 | 0.75 | KDM4E (0.42) | — | |
| SCHEMBL5279189 | 0.73 | — | — | |
| Acetoacetic Acid SCHEMBL28084951 | 0.73 | — | — |
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-109563043-A | SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-04-02 | — | — | CN | disclosed |