⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3141382 | 0.72 | — | — | |
| SCHEMBL3038772 | 0.71 | TDP1 (0.38) | — | |
| SCHEMBL270966 | 0.69 | — | — | |
| SCHEMBL13326910 | 0.67 | — | — | |
| SCHEMBL1704313 | 0.67 | — | — | |
| SCHEMBL13326909 | 0.67 | — | — | |
| SCHEMBL17831029 | 0.67 | — | — | |
| SCHEMBL14478767 | 0.67 | — | — | |
| SCHEMBL2460808 | 0.67 | TDP1 (0.35) | — | |
| SCHEMBL6913725 | 0.65 | TSHR (0.35) | — |
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-8163911-B2 | Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-24 | — | — | US | claimed |