⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21153859 | 1.00 | — | — | |
| SCHEMBL21153704 | 0.92 | — | — | |
| SCHEMBL21135006 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL21134690 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL21153085 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL21153031 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL21134882 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL21134699 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL21135256 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL19934648 | 0.85 | KDM4E (0.31) | — |
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-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 |