⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL27757955 | 0.77 | — | — | |
| SCHEMBL5237307 | 0.72 | — | — | |
| SCHEMBL2158653 | 0.69 | — | — | |
| SCHEMBL7553755 | 0.69 | — | — | |
| SCHEMBL1178971 | 0.63 | — | — | |
| SCHEMBL735647 | 0.59 | — | — | |
| SCHEMBL17512193 | 0.59 | — | — | |
| SCHEMBL4396847 | 0.59 | — | — | |
| SCHEMBL13322125 | 0.59 | — | — | |
| SCHEMBL15998187 | 0.59 | — | — |
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-108794427-A | A kind of synthetic method of 1,3,4- thiadiazoles derivatives | 江苏快达农化股份有限公司 | 2018-11-13 | — | — | CN | disclosed |