⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1180554 | 0.87 | — | — | |
| Acetonitrile SCHEMBL8836994 | 0.83 | ALDH1A1 (0.75) | — | |
| SCHEMBL28133271 | 0.82 | — | — | |
| SCHEMBL2005231 | 0.82 | ALDH1A1 (0.90) | — | |
| Chloroform SCHEMBL7008332 | 0.75 | — | — | |
| Chloroform SCHEMBL27708536 | 0.75 | ALDH1A1 (0.40) | — | |
| Chloroform SCHEMBL27652357 | 0.72 | ALDH1A1 (0.38) | — | |
| Acetonitrile SCHEMBL8043043 | 0.72 | — | — | |
| Chloroform SCHEMBL8907442 | 0.71 | LMNA (0.50) | — | |
| Chloroform SCHEMBL25447 | 0.71 | — | — |
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-113402475-A | Preparation method of florfenicol intermediate | 山东国邦药业有限公司 | 2021-09-17 | — | — | CN | disclosed |