⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11990811 | 0.75 | — | — | |
| SCHEMBL381502 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL11965679 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL6905336 | 0.67 | — | — | |
| SCHEMBL11222290 | 0.67 | — | — | |
| SCHEMBL9710754 | 0.65 | ALDH1A1 (0.45) | — | |
| SCHEMBL9710760 | 0.65 | ALDH1A1 (0.45) | — | |
| SCHEMBL2454582 | 0.65 | — | — | |
| SCHEMBL6795993 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL13810337 | 0.64 | ALDH1A1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021142420-A1 | PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN | KAPOOR TARUN M (US) | 2021-07-15 | — | — | WO | disclosed |
| CN-110797576-B | High-voltage lithium ion battery electrolyte and lithium ion battery | 广州天赐高新材料股份有限公司 | 2020-11-27 | — | — | CN | disclosed |
| CN-110797576-A | High-voltage lithium ion battery electrolyte and lithium ion battery | 广州天赐高新材料股份有限公司 | 2020-02-14 | — | — | CN | disclosed |