⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2078726 | 0.79 | ZDHHC7 (0.33) | — | |
| SCHEMBL8083315 | 0.79 | CYP2C19 (0.48) | — | |
| SCHEMBL11194118 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL27787604 | 0.78 | USP2 (0.45) | — | |
| SCHEMBL27344884 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL1770755 | 0.77 | — | — | |
| SCHEMBL9491609 | 0.77 | — | — | |
| SCHEMBL11202268 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL27410291 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL28580193 | 0.74 | EPHX1 (0.55) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8946476-B2 | Process for the preparation of amino acid derivatives | UCB PHARMA GMBH (DE) | 2015-02-03 | — | — | US | disclosed |
| US-8859574-B2 | Compounds and compositions as kinase inhibitors | IRM LLC (BM) | 2014-10-14 | — | — | US | disclosed |
| US-8859574-B2 | Compounds and compositions as kinase inhibitors | IRM LLC (BM) | 2014-10-14 | — | — | US | disclosed |
| US-8859574-B2 | Compounds and compositions as kinase inhibitors | IRM LLC (BM) | 2014-10-14 | — | — | US | disclosed |
| US-20130310361-A1 | COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS | IRM LLC (BM) | 2013-11-21 | — | — | US | disclosed |
| US-20130310361-A1 | COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS | IRM LLC (BM) | 2013-11-21 | — | — | US | disclosed |
| US-8519129-B2 | Pyrimidine derivatives as kinase inhibitors | IRM LLC (BM) | 2013-08-27 | — | — | US | disclosed |
| US-8519129-B2 | Pyrimidine derivatives as kinase inhibitors | IRM LLC (BM) | 2013-08-27 | — | — | US | disclosed |
| US-8519129-B2 | Pyrimidine derivatives as kinase inhibitors | IRM LLC (BM) | 2013-08-27 | — | — | US | disclosed |
| US-20110112063-A1 | PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS | IRM LLC (BM) | 2011-05-12 | — | — | US | disclosed |
| US-20110112063-A1 | PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS | IRM LLC (BM) | 2011-05-12 | — | — | US | disclosed |
| US-20110112063-A1 | PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS | IRM LLC (BM) | 2011-05-12 | — | — | US | disclosed |