⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1356603 | 0.93 | — | — | |
| SCHEMBL435445 | 0.90 | — | — | |
| SCHEMBL2304474 | 0.90 | — | — | |
| Hydrogen Peroxide SCHEMBL28117278 | 0.88 | NPSR1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL7330059 | 0.88 | NPSR1 (0.34) | — | |
| SCHEMBL3645925 | 0.86 | — | — | |
| SCHEMBL21145530 | 0.77 | ALDH1A1 (0.41) | — | |
| Propylene Glycol SCHEMBL9136224 | 0.74 | TDP1 (0.42) | — | |
| SCHEMBL11220473 | 0.73 | — | — | |
| SCHEMBL8559299 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4196125-A1 | COMPOUNDS, COMPOSITIONS AND METHODS | Denali Therapeutics Inc. (US) | 2023-06-21 | — | — | EP | disclosed |
| WO-2022036204-A1 | COMPOUNDS, COMPOSITIONS AND METHODS | DENALI THERAPEUTICS INC. (US) | 2022-02-17 | — | — | WO | disclosed |
| CN-109761906-A | A kind of substituted imidazole formate ester derivative and application thereof | 成都安诺晨创医药科技有限公司 | 2019-05-17 | — | — | CN | disclosed |