⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11135929 | 0.83 | — | — | |
| Chloromethane SCHEMBL11544846 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL3198149 | 0.77 | — | — | |
| Ethyl Chloride SCHEMBL11226213 | 0.76 | — | — | |
| SCHEMBL11314080 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL10948977 | 0.75 | — | — | |
| SCHEMBL315508 | 0.75 | ALDH1A1 (0.36) | — | |
| Ethyl Chloride SCHEMBL9815406 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL11335027 | 0.73 | — | — | |
| SCHEMBL9910587 | 0.73 | — | — |
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-115448950-A | Preparation method of L-glufosinate-ammonium intermediate | 中国药科大学 | 2022-12-09 | — | — | CN | disclosed |