⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9515830 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL3359553 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL16670922 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL18687713 | 0.69 | — | — | |
| SCHEMBL38661721 | 0.69 | — | — | |
| SCHEMBL28989700 | 0.67 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL27740866 | 0.67 | — | — | |
| SCHEMBL15119422 | 0.65 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL3650 | 0.59 | — | — | |
| Ethaneperoxoic Acid SCHEMBL4954376 | 0.59 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105576279-B | Lithium secondary battery | 麦克赛尔控股株式会社 | 2020-05-12 | — | — | CN | disclosed |
| EP-0082576-B1 | A PROCESS FOR THE HYDROFORMYLATION OF OLEFINS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-02-20 | — | — | EP | disclosed |
| EP-0082576-A1 | A process for the hydroformylation of olefins | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-06-29 | — | — | EP | disclosed |