⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19134348 | 0.76 | — | — | |
| SCHEMBL21030398 | 0.76 | — | — | |
| SCHEMBL21020374 | 0.74 | — | — | |
| SCHEMBL21034353 | 0.73 | — | — | |
| SCHEMBL7404335 | 0.67 | — | — | |
| SCHEMBL23862822 | 0.67 | — | — | |
| SCHEMBL9080136 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL28183997 | 0.66 | ALDH1A1 (0.43) | — | |
| SCHEMBL22426748 | 0.64 | CA12 (0.39) | — | |
| SCHEMBL15149 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019101132-A1 | FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海有机化学研究所 | 2019-05-31 | — | — | WO | disclosed |