⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17763305 | 0.75 | FFAR3 (0.38) | — | |
| SCHEMBL115741 | 0.71 | FFAR3 (0.41) | — | |
| Hydrochloric Acid SCHEMBL3267215 | 0.69 | FFAR3 (0.39) | — | |
| SCHEMBL28419811 | 0.69 | FFAR3 (0.39) | — | |
| Water SCHEMBL5129171 | 0.69 | FFAR3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL627728 | 0.69 | FFAR3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL28434900 | 0.69 | FFAR3 (0.39) | — | |
| SCHEMBL2097282 | 0.69 | KCNN4 (0.35) | — | |
| SCHEMBL27792244 | 0.68 | HCAR2 (0.41) | — | |
| SCHEMBL27792243 | 0.68 | TSHR (0.37) | — |
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-113321601-A | Fluorosurfactants | 默克专利股份有限公司 | 2021-08-31 | — | — | CN | disclosed |