⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL391 | 0.89 | — | — | |
| SCHEMBL31355123 | 0.80 | — | — | |
| SCHEMBL31669643 | 0.80 | — | — | |
| Water SCHEMBL2196363 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL567492 | 0.80 | — | — | |
| SCHEMBL10810632 | 0.80 | — | — | |
| Iodide SCHEMBL7595528 | 0.80 | — | — | |
| Water SCHEMBL609480 | 0.80 | — | — | |
| Fluoride SCHEMBL2801234 | 0.80 | — | — | |
| Bromide SCHEMBL10339581 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |