⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23963453 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL18400959 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL23963206 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL19246056 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL18457348 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL23963207 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL23963203 | 0.72 | THRA (0.37) | — | |
| SCHEMBL21786273 | 0.72 | — | — | |
| SCHEMBL23974059 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL23963451 | 0.69 | TSHR (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210341839-A1 | FLUOROCARBOXYLIC ACID-CONTAINING MONOMER, FLUOROCARBOXYLIC ACID-CONTAINING POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-11-04 | — | — | US | disclosed |