⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1432907 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28972349 | 0.79 | L3MBTL1 (0.53) | — | |
| SCHEMBL24190662 | 0.77 | PTK2 (0.53) | — | |
| SCHEMBL21153681 | 0.76 | — | — | |
| SCHEMBL22813029 | 0.76 | — | — | |
| SCHEMBL22593326 | 0.76 | — | — | |
| SCHEMBL10089586 | 0.76 | — | — | |
| SCHEMBL1503953 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27978896 | 0.74 | PTK2 (0.55) | — | |
| Hydrochloric Acid SCHEMBL20447981 | 0.74 | PTK2 (0.55) | — |
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-109790122-A | Heterocyclic compound | 武田药品工业株式会社 | 2019-05-21 | — | — | CN | disclosed |