⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20977414 | 0.79 | — | — | |
| SCHEMBL20977296 | 0.76 | LMNA (0.34) | — | |
| SCHEMBL30349823 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL11125782 | 0.70 | — | — | |
| SCHEMBL16981071 | 0.68 | — | — | |
| SCHEMBL1485964 | 0.68 | — | — | |
| SCHEMBL15003547 | 0.68 | — | — | |
| SCHEMBL11203642 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL15711352 | 0.68 | — | — | |
| SCHEMBL30349850 | 0.68 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3697747-B1 | PROCESS FOR THE CHLORINATION AT THE ALPHA-H POSITION OF ALKYLARENES VARIOUSLY SUBSTITUTED ON THE AROMATIC RING | UNIV DEGLI STUDI CAGLIARI (IT) | 2022-06-08 | — | — | EP | disclosed |