⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28797694 | 0.95 | — | — | |
| Water SCHEMBL10918338 | 0.95 | LOX (0.50) | — | |
| Water SCHEMBL16115412 | 0.95 | — | — | |
| Water SCHEMBL1335153 | 0.95 | — | — | |
| SCHEMBL59142 | 0.95 | — | — | |
| Bromide SCHEMBL21357333 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL27915489 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL116850 | 0.90 | — | — | |
| SCHEMBL29659381 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL6183079 | 0.86 | — | — |
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-109053633-A | A kind of synthetic method of 5- amino -1,2,3- thiadiazoles | 江苏师范大学 | 2018-12-21 | — | — | CN | disclosed |
| CN-105950187-A | Soil conditioner | 北京本农科技发展有限公司 | 2016-09-21 | — | — | CN | disclosed |