⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16317759 | 1.00 | — | — | |
| SCHEMBL8352097 | 0.81 | PTGS1 (0.55) | — | |
| SCHEMBL6930529 | 0.79 | — | — | |
| SCHEMBL2835186 | 0.79 | — | — | |
| SCHEMBL15514169 | 0.79 | — | — | |
| SCHEMBL929197 | 0.77 | — | — | |
| SCHEMBL12519877 | 0.77 | — | — | |
| SCHEMBL4297372 | 0.77 | — | — | |
| SCHEMBL12852243 | 0.77 | — | — | |
| SCHEMBL15862125 | 0.77 | PTGS1 (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 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 |