⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36779 | 1.00 | — | — | |
| SCHEMBL28848810 | 1.00 | — | — | |
| SCHEMBL30033735 | 1.00 | — | — | |
| SCHEMBL2278786 | 1.00 | — | — | |
| Water SCHEMBL29046876 | 0.94 | — | — | |
| Water SCHEMBL28274385 | 0.94 | — | — | |
| SCHEMBL28461987 | 0.93 | ALPG (0.31) | — | |
| SCHEMBL277895 | 0.93 | ALPG (0.31) | — | |
| SCHEMBL29357 | 0.93 | ALPG (0.31) | — | |
| SCHEMBL992305 | 0.93 | ALPG (0.31) | — |
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-111909211-A | Thiophosphate molybdenum-containing thiadiazole derivative and preparation method and application thereof | 洛阳太平洋联合石油化工有限公司 | 2020-11-10 | — | — | CN | disclosed |
| CN-109796758-A | A kind of PA66 modified material and preparation method thereof that stability is good | 中平神马江苏新材料科技有限公司 | 2019-05-24 | — | — | CN | disclosed |