⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3619540 | 0.79 | — | — | |
| SCHEMBL3379177 | 0.79 | SCN4A (0.35) | — | |
| SCHEMBL27786928 | 0.77 | — | — | |
| SCHEMBL28757647 | 0.77 | — | — | |
| SCHEMBL11811334 | 0.77 | — | — | |
| Isobutane SCHEMBL3977701 | 0.77 | ALDH1A1 (0.35) | — | |
| Ethane SCHEMBL3978956 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL5900778 | 0.75 | — | — | |
| SCHEMBL10632771 | 0.75 | — | — | |
| SCHEMBL28178999 | 0.75 | — | — |
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-111670180-A | Fluoroalkenyl compounds, process for their preparation and their use | PI工业有限公司 | 2020-09-15 | — | — | CN | disclosed |