⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4722802 | 0.70 | CSNK1D (0.37) | — | |
| SCHEMBL8569381 | 0.70 | TP53 (0.31) | — | |
| SCHEMBL4723589 | 0.70 | GBA1 (0.39) | — | |
| SCHEMBL4765239 | 0.64 | LMNA (0.33) | — | |
| SCHEMBL11436591 | 0.60 | — | — | |
| SCHEMBL156583 | 0.60 | — | — | |
| SCHEMBL7830228 | 0.60 | ALDH1A1 (0.37) | — | |
| SCHEMBL8568901 | 0.60 | — | — | |
| SCHEMBL8568898 | 0.60 | — | — | |
| SCHEMBL9840014 | 0.55 | — | — |
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-106543100-A | A kind of synthetic method of methyl mercapto thiadiazoles | 重庆锦杉科技有限公司 | 2017-03-29 | — | — | CN | disclosed |