⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26869433 | 1.00 | — | — | |
| SCHEMBL21153724 | 0.88 | — | — | |
| SCHEMBL21153076 | 0.88 | — | — | |
| SCHEMBL21153079 | 0.88 | — | — | |
| SCHEMBL21134838 | 0.88 | — | — | |
| SCHEMBL21153786 | 0.88 | — | — | |
| SCHEMBL21134885 | 0.83 | — | — | |
| SCHEMBL21153251 | 0.83 | — | — | |
| SCHEMBL19934673 | 0.83 | — | — | |
| SCHEMBL24920800 | 0.82 | — | — |
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-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 |