⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10243245 | 0.74 | — | — | |
| SCHEMBL2421580 | 0.72 | — | — | |
| SCHEMBL10625031 | 0.71 | — | — | |
| SCHEMBL10625023 | 0.71 | — | — | |
| SCHEMBL8730946 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL11131760 | 0.70 | — | — | |
| SCHEMBL16367002 | 0.69 | — | — | |
| SCHEMBL3886847 | 0.67 | — | — | |
| SCHEMBL8926626 | 0.67 | MGAM (0.39) | — | |
| SCHEMBL9466416 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110313150-A1 | CHIRAL DISULFONIMIDES | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2011-12-22 | — | — | US | disclosed |