⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20243270 | 0.75 | — | — | |
| SCHEMBL7579561 | 0.75 | — | — | |
| SCHEMBL4158985 | 0.72 | LMNA (0.40) | — | |
| SCHEMBL18756469 | 0.72 | LMNA (0.40) | — | |
| SCHEMBL25803334 | 0.72 | DNM1 (0.33) | — | |
| SCHEMBL19326404 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL1781193 | 0.70 | CA1 (0.32) | — | |
| SCHEMBL29349120 | 0.69 | — | — | |
| SCHEMBL7194481 | 0.69 | — | — | |
| SCHEMBL13532780 | 0.68 | THRB (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022033303-A1 | BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2022-02-17 | — | — | WO | disclosed |