⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29199376 | 0.97 | — | — | |
| Vinyl Chloride SCHEMBL27700720 | 0.69 | — | — | |
| SCHEMBL28370550 | 0.69 | — | — | |
| SCHEMBL20292147 | 0.67 | — | — | |
| SCHEMBL21519663 | 0.67 | — | — | |
| SCHEMBL9802069 | 0.65 | — | — | |
| SCHEMBL2178952 | 0.65 | — | — | |
| SCHEMBL14479589 | 0.65 | — | — | |
| SCHEMBL28205349 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL1358796 | 0.63 | — | — |
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-117903297-A | Chemoselective coupling of sulfhydryl groups with alkenyl or alkynyl phosphoramides | 柏林合作研究学会 | 2024-04-19 | — | — | CN | disclosed |
| CN-109689112-B | Chemoselective coupling of sulfhydryl groups with alkenyl or alkynyl phosphoramides | 柏林合作研究学会 | 2023-10-13 | — | — | CN | disclosed |