⚠ 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL28953083 | 0.88 | — | — | |
| Urea SCHEMBL5692381 | 0.87 | — | — | |
| Tetrahydrofuran SCHEMBL27547612 | 0.85 | — | — | |
| Urea SCHEMBL11595984 | 0.80 | — | — | |
| Bicarbonate SCHEMBL7553050 | 0.78 | TSHR (0.55) | — | |
| SCHEMBL31038405 | 0.77 | TSHR (0.35) | — | |
| Cycloheptane SCHEMBL1834654 | 0.77 | LMNA (0.67) | — | |
| Cyclohexane SCHEMBL3125968 | 0.77 | LMNA (0.67) | — | |
| Cyclopentane SCHEMBL2745905 | 0.77 | — | — | |
| Urea SCHEMBL900201 | 0.77 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2318377-B1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH INC (US) | 2013-08-21 | — | — | EP | 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 |
| CN-102171194-A | Pyrimidine compounds, compositions and methods of use | GENENTECH INC | 2011-08-31 | — | — | CN | disclosed |
| EP-2318377-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Genentech, Inc. (US) | 2011-05-11 | — | — | EP | disclosed |
| US-20100069357-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-03-18 | — | — | US | disclosed |
| WO-2010014939-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-02-04 | — | — | WO | disclosed |