⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4489885 | 1.00 | — | — | |
| SCHEMBL4489882 | 1.00 | — | — | |
| SCHEMBL5727853 | 1.00 | — | — | |
| SCHEMBL13686565 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27664351 | 0.97 | CYP2C9 (0.38) | — | |
| SCHEMBL8300772 | 0.83 | CYP2C9 (0.46) | — | |
| SCHEMBL24269492 | 0.82 | — | — | |
| SCHEMBL20811096 | 0.82 | — | — | |
| SCHEMBL25101528 | 0.82 | — | — | |
| SCHEMBL10273860 | 0.82 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1615898-B1 | 2-Aminopyrimidine derivatives and their medical use | NOVARTIS AG (CH) | 2014-10-29 | — | — | EP | disclosed |
| CN-102267988-A | 2-aminopyrimidine derivatives and their medical use | NOVARTIS LTD | 2011-12-07 | — | — | CN | disclosed |
| US-7615562-B2 | Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents | NOVARTIS AG (CH) | 2009-11-10 | — | — | US | disclosed |
| US-20070043048-A1 | 2-Aminopyrimidine derivatives and their medical use | NOVARTIS AG (CH) | 2007-02-22 | — | — | US | disclosed |
| CN-1802357-A | 2-aminopyrimidine derivatives and their medical use | NOVARTIS AG (CH) | 2006-07-12 | — | — | CN | disclosed |