⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1154319 | 0.70 | — | — | |
| SCHEMBL2265241 | 0.51 | — | — | |
| Butane SCHEMBL27724399 | 0.49 | TSHR (0.33) | — | |
| SCHEMBL16860594 | 0.47 | — | — | |
| SCHEMBL16860601 | 0.47 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL28869161 | 0.46 | LMNA (0.61) | — | |
| Propane SCHEMBL28117239 | 0.44 | — | — | |
| SCHEMBL6562332 | 0.44 | — | — | |
| 1,3,5-Trichlorobenzene SCHEMBL5940813 | 0.42 | TSHR (0.67) | — | |
| Water SCHEMBL29242977 | 0.42 | — | — |
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-2009101078-A1 | PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS | BASF SE (DE) | 2009-08-20 | — | — | WO | claimed |
| WO-2009101079-A1 | PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS | BASF SE (DE) | 2009-08-20 | — | — | WO | claimed |