⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28249601 | 0.80 | — | — | |
| Acetic Acid SCHEMBL6905387 | 0.78 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL28907430 | 0.78 | — | — | |
| Acetic Acid SCHEMBL10680248 | 0.78 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL27652008 | 0.78 | FFAR3 (0.64) | — | |
| Acetic Acid SCHEMBL393952 | 0.78 | — | — | |
| SCHEMBL3904360 | 0.78 | — | — | |
| Formic Acid SCHEMBL741409 | 0.76 | — | — | |
| SCHEMBL1425834 | 0.76 | — | — | |
| SCHEMBL5861030 | 0.76 | FFAR3 (0.40) | — |
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-212476590-U | Preparation facilities of chiral homotaurine | 湖北广辰药业有限公司 | 2021-02-05 | — | — | CN | disclosed |