⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL9955552 | 0.80 | CA5A (0.32) | — | |
| Hydrochlorthiazide SCHEMBL4020517 | 0.79 | — | — | |
| Thiosulfuric Acid SCHEMBL29027188 | 0.76 | — | — | |
| Hydrochlorthiazide SCHEMBL28787417 | 0.75 | — | — | |
| Hydrochlorthiazide SCHEMBL15510491 | 0.72 | — | — | |
| Sulfuric Acid SCHEMBL15510720 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28213776 | 0.72 | — | — | |
| SCHEMBL28950 | 0.72 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL8553635 | 0.71 | — | — | |
| Hydrochlorthiazide SCHEMBL7553499 | 0.71 | — | — |
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-113214185-A | Method for benzothiazole diazo coupling continuous reaction | 青海施丹弗化工有限责任公司 | 2021-08-06 | — | — | CN | claimed |
| CN-113214185-A | Method for benzothiazole diazo coupling continuous reaction | 青海施丹弗化工有限责任公司 | 2021-08-06 | — | — | CN | disclosed |