⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5935763 | 0.76 | — | — | |
| SCHEMBL21494876 | 0.74 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL7161983 | 0.73 | — | — | |
| SCHEMBL18689667 | 0.73 | — | — | |
| SCHEMBL11937375 | 0.73 | — | — | |
| SCHEMBL13375700 | 0.73 | — | — | |
| SCHEMBL2625313 | 0.72 | GSK3B (0.51) | — | |
| SCHEMBL15196046 | 0.72 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL14947699 | 0.70 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL15107929 | 0.70 | SMN1; SMN2 (0.69) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8828990-B2 | N-7 substituted purine and pyrazolopyrimine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2014-09-09 | — | — | US | disclosed |
| US-20120165313-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2012-06-28 | — | — | US | disclosed |
| US-8163763-B2 | Pyrimidine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20110086840-A1 | N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2011-04-14 | — | — | US | disclosed |
| US-20100069357-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-03-18 | — | — | US | disclosed |