⚠ 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 | |
|---|---|---|---|---|
| Hydrochlorthiazide SCHEMBL22584718 | 0.82 | — | — | |
| Hydrochlorthiazide SCHEMBL289703 | 0.80 | — | — | |
| Heptane SCHEMBL27328744 | 0.79 | TSHR (0.36) | — | |
| Hydrochlorthiazide SCHEMBL28060281 | 0.79 | — | — | |
| Hydrochlorthiazide SCHEMBL19858943 | 0.79 | — | — | |
| Hydrochlorthiazide SCHEMBL450348 | 0.79 | — | — | |
| Hydrochlorthiazide SCHEMBL9336266 | 0.79 | — | — | |
| Hydrochlorthiazide SCHEMBL6291 | 0.79 | — | — | |
| Hydrochlorthiazide SCHEMBL3110285 | 0.79 | — | — | |
| Hydrochlorthiazide SCHEMBL2807097 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116354900-B | Chlorothiazole compound containing maleic acid structure, and preparation method and application thereof | 中国农业大学 | 2024-03-12 | — | — | CN | disclosed |
| CN-116354900-A | Chlorothiazole compound containing maleic acid structure, and preparation method and application thereof | 中国农业大学 | 2023-06-30 | — | — | CN | disclosed |