⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21707535 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL1149433 | 0.64 | — | — | |
| SCHEMBL3346318 | 0.62 | — | — | |
| SCHEMBL1938281 | 0.61 | — | — | |
| SCHEMBL22338989 | 0.61 | — | — | |
| SCHEMBL24192307 | 0.61 | TSHR (0.31) | — | |
| SCHEMBL18020993 | 0.61 | — | — | |
| SCHEMBL9150452 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL15142518 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL23828273 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118448722-A | Functional oxidation-reduction shuttle additive and preparation method thereof, and novel electrolyte for lithium ion battery | 盘锦富隆化工有限公司 | 2024-08-06 | — | — | CN | claimed |
| CN-118448722-A | Functional oxidation-reduction shuttle additive and preparation method thereof, and novel electrolyte for lithium ion battery | 盘锦富隆化工有限公司 | 2024-08-06 | — | — | CN | disclosed |
| EP-0840717-B1 | PREPARATION OF ALDEHYDES OR KETONES FROM ALCOHOLS | SYNGENTA LTD (GB) | 2001-10-24 | — | — | EP | disclosed |