⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28731853 | 0.82 | — | — | |
| Propene SCHEMBL2938683 | 0.79 | — | — | |
| Methylsulfanylmethane SCHEMBL28129227 | 0.78 | — | — | |
| SCHEMBL25259881 | 0.77 | — | — | |
| Ethylene SCHEMBL566704 | 0.75 | — | — | |
| SCHEMBL27553773 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL37752 | 0.74 | — | — | |
| Bicarbonate SCHEMBL19971073 | 0.74 | HCAR2 (0.36) | — | |
| Methane SCHEMBL28731969 | 0.74 | — | — | |
| Bicarbonate SCHEMBL28053231 | 0.72 | ALDH1A1 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114478510-B | Preparation method of nifuratel | 盐城凯利药业有限公司 | 2022-11-01 | — | — | CN | claimed |
| CN-114478510-B | Preparation method of nifuratel | 盐城凯利药业有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-114478510-A | Preparation method of nifuratel | 盐城凯利药业有限公司 | 2022-05-13 | — | — | CN | disclosed |