⚠ 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 SCHEMBL2259998 | 1.00 | — | — | |
| Hydrochlorthiazide SCHEMBL28434984 | 1.00 | — | — | |
| Hydrochlorthiazide SCHEMBL28694983 | 0.97 | — | — | |
| Hydrochlorthiazide SCHEMBL28286316 | 0.97 | — | — | |
| Hydrochlorthiazide SCHEMBL2498939 | 0.97 | — | — | |
| Hydrochlorthiazide SCHEMBL28390259 | 0.97 | — | — | |
| Hydrochlorthiazide SCHEMBL27656192 | 0.97 | — | — | |
| Hydrochlorthiazide SCHEMBL28266035 | 0.97 | — | — | |
| Hydrochlorthiazide SCHEMBL3110285 | 0.96 | — | — | |
| Hydrochlorthiazide SCHEMBL450348 | 0.96 | — | — |
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-109988123-A | The zinc thiazole preparation method of impurity content in a kind of reduction zinc thiazole | 江苏新农化工有限公司 | 2019-07-09 | — | — | CN | disclosed |