⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1154329 | 0.70 | — | — | |
| SCHEMBL2265241 | 0.60 | — | — | |
| SCHEMBL3238162 | 0.57 | — | — | |
| SCHEMBL29001118 | 0.49 | — | — | |
| SCHEMBL6562332 | 0.47 | — | — | |
| SCHEMBL9596236 | 0.43 | — | — | |
| SCHEMBL22983129 | 0.42 | — | — | |
| Water SCHEMBL37240 | 0.40 | — | — | |
| Butane SCHEMBL27724399 | 0.37 | TSHR (0.33) | — | |
| SCHEMBL14616529 | 0.37 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110039693-A1 | Pyrimidylmethyl Sulfonamide Compounds | BASF SE (DE) | 2011-02-17 | — | — | US | claimed |
| EP-2252606-A1 | PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS | BASF SE (DE) | 2010-11-24 | — | — | EP | claimed |
| WO-2009101079-A1 | PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS | BASF SE (DE) | 2009-08-20 | — | — | WO | claimed |
| WO-2009101078-A1 | PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS | BASF SE (DE) | 2009-08-20 | — | — | WO | claimed |