⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28965726 | 0.86 | HTT (0.32) | — | |
| SCHEMBL22188679 | 0.80 | — | — | |
| SCHEMBL4619066 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL23648250 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL20920824 | 0.77 | — | — | |
| Acetic Acid SCHEMBL9260605 | 0.74 | HTT (0.33) | — | |
| SCHEMBL7172992 | 0.73 | POLA1 (0.33) | — | |
| SCHEMBL29257041 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL7369099 | 0.72 | — | — | |
| SCHEMBL1501249 | 0.71 | POLA1 (0.32) | — |
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-119661407-A | Chiral sulfinamide carboxylic acid compound, and synthetic method and application thereof | 浙江大学 | 2025-03-21 | — | — | CN | disclosed |