⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24920800 | 0.95 | — | — | |
| SCHEMBL26869433 | 0.83 | — | — | |
| SCHEMBL19934787 | 0.83 | — | — | |
| SCHEMBL19934665 | 0.81 | LMNA (0.30) | — | |
| SCHEMBL19934640 | 0.81 | — | — | |
| SCHEMBL19934646 | 0.79 | TP53 (0.35) | — | |
| SCHEMBL27287866 | 0.74 | — | — | |
| SCHEMBL7064655 | 0.72 | TP53 (0.39) | — | |
| SCHEMBL3776256 | 0.67 | — | — | |
| SCHEMBL1679017 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3508476-A1 | AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION | Inst Of Radiation Medicine Chinese Acad Of Medical Sciences (CN) | 2019-07-10 | — | — | EP | disclosed |
| WO-2018041245-A1 | AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION | 中国医学科学院放射医学研究所 | 2018-03-08 | — | — | WO | disclosed |