⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19934698 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL21153024 | 0.81 | — | — | |
| SCHEMBL21153328 | 0.81 | — | — | |
| SCHEMBL21153272 | 0.78 | PTGS1 (0.44) | — | |
| SCHEMBL23154372 | 0.73 | KDM4E (0.37) | — | |
| SCHEMBL23154107 | 0.73 | KDM4E (0.37) | — | |
| SCHEMBL21153287 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL19934769 | 0.71 | BMP1 (0.41) | — | |
| SCHEMBL19934736 | 0.71 | BMP1 (0.41) | — | |
| SCHEMBL13322789 | 0.69 | KDM4E (0.44) | — |
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-B1 | AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION | SHANGHAI KECHOW PHARMA INC (CN) | 2023-11-22 | — | — | 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 |