⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28317172 | 1.00 | — | — | |
| SCHEMBL28316496 | 0.85 | EGFR (0.31) | — | |
| SCHEMBL20155721 | 0.85 | EGFR (0.31) | — | |
| SCHEMBL28317158 | 0.83 | NPC1 (0.36) | — | |
| SCHEMBL20155578 | 0.83 | NPC1 (0.36) | — | |
| SCHEMBL28315992 | 0.82 | — | — | |
| SCHEMBL20155150 | 0.82 | — | — | |
| SCHEMBL20155435 | 0.79 | KDR (0.35) | — | |
| SCHEMBL20155046 | 0.78 | CREBBP (0.30) | — | |
| SCHEMBL20155041 | 0.75 | MEN1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110088102-A | A kind of nitrogen-containing hetero cyclics, preparation method, pharmaceutical composition and application | 罗欣药业(上海)有限公司 | 2019-08-02 | — | — | CN | disclosed |
| WO-2018086604-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |