⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL575742 | 0.96 | — | — | |
| Alcohol SCHEMBL17821474 | 0.87 | — | — | |
| Ether SCHEMBL28097683 | 0.82 | — | — | |
| SCHEMBL11092539 | 0.74 | — | — | |
| SCHEMBL4256530 | 0.69 | — | — | |
| SCHEMBL10358364 | 0.69 | — | — | |
| SCHEMBL996553 | 0.69 | — | — | |
| SCHEMBL4256518 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL4258303 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL9291017 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109796981-A | Etchant gas mixture, pattern forming method and IC apparatus manufacturing method | 三星电子株式会社 | 2019-05-24 | — | — | CN | disclosed |