⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13302563 | 0.85 | — | — | |
| SCHEMBL29528933 | 0.81 | — | — | |
| SCHEMBL1100301 | 0.76 | MAPT (0.31) | — | |
| SCHEMBL28276145 | 0.60 | TSHR (0.31) | — | |
| SCHEMBL8698775 | 0.60 | — | — | |
| SCHEMBL10870478 | 0.60 | — | — | |
| SCHEMBL737275 | 0.58 | — | — | |
| SCHEMBL9806201 | 0.58 | — | — | |
| SCHEMBL1846403 | 0.57 | — | — | |
| SCHEMBL1844006 | 0.57 | — | — |
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-8318754-B2 | Pyrimidinecarboxamide derivatives | CONCERT PHARMACEUTICALS INC. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20100152214-A1 | NOVEL PYRIMIDINECARBOXAMIDE DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2010-06-17 | — | — | US | disclosed |
| US-7687509-B2 | Pyrimidinecarboxamide derivatives | CONCERT PHARMACEUTICALS INC. (US) | 2010-03-30 | — | — | US | disclosed |
| US-20090035324-A1 | NOVEL PYRIMIDINECARBOXAMIDE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | US | disclosed |
| WO-2009009531-A2 | PYRIMIDINECARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS | CONCERT PHARMACEUTICALS INC. (US) | 2009-01-15 | — | — | WO | disclosed |