⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5101851 | 0.73 | MAPK1 (0.33) | — | |
| SCHEMBL4641210 | 0.72 | — | — | |
| SCHEMBL843128 | 0.72 | — | — | |
| SCHEMBL5114081 | 0.70 | — | — | |
| SCHEMBL412402 | 0.69 | — | — | |
| SCHEMBL9042942 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL13891627 | 0.67 | — | — | |
| SCHEMBL9044982 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL5113297 | 0.66 | MAPK1 (0.31) | — | |
| SCHEMBL7675790 | 0.64 | — | — |
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-0188805-A1 | 1,3-Dithiole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1986-07-30 | — | — | EP | claimed |