⚠ 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 | |
|---|---|---|---|---|
| Furan SCHEMBL28273360 | 0.90 | — | — | |
| Furan SCHEMBL1411336 | 0.82 | — | — | |
| Furan SCHEMBL30356805 | 0.80 | TDP1 (0.53) | — | |
| Furan SCHEMBL8219809 | 0.80 | — | — | |
| Benzene SCHEMBL10906028 | 0.78 | MAPK1 (0.89) | — | |
| Benzene SCHEMBL3051133 | 0.78 | TSHR (0.50) | — | |
| Benzene SCHEMBL29070212 | 0.78 | MAPK1 (0.89) | — | |
| Benzene SCHEMBL3212345 | 0.78 | TSHR (0.50) | — | |
| Benzene SCHEMBL4340876 | 0.78 | MAPK1 (0.89) | — | |
| SCHEMBL498790 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110183428-B | Furan thiocarbamate compound containing 1,2,3, 4-tetrazole and preparation method and application thereof | 华南农业大学 | 2021-08-03 | — | — | CN | claimed |
| CN-110183428-B | Furan thiocarbamate compound containing 1,2,3, 4-tetrazole and preparation method and application thereof | 华南农业大学 | 2021-08-03 | — | — | CN | disclosed |
| CN-110183428-B | Furan thiocarbamate compound containing 1,2,3, 4-tetrazole and preparation method and application thereof | 华南农业大学 | 2021-08-03 | — | — | CN | disclosed |
| CN-110183428-B | Furan thiocarbamate compound containing 1,2,3, 4-tetrazole and preparation method and application thereof | 华南农业大学 | 2021-08-03 | — | — | CN | disclosed |