⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29919450 | 0.74 | HDAC8 (0.39) | — | |
| SCHEMBL1352941 | 0.74 | HSP90AA1 (0.39) | — | |
| SCHEMBL2469365 | 0.74 | HDAC8 (0.39) | — | |
| SCHEMBL1855295 | 0.69 | — | — | |
| SCHEMBL1855296 | 0.69 | — | — | |
| SCHEMBL1388023 | 0.69 | — | — | |
| SCHEMBL1673488 | 0.69 | — | — | |
| SCHEMBL11681095 | 0.69 | — | — | |
| SCHEMBL1854476 | 0.69 | — | — | |
| SCHEMBL8957455 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2011008931-A2 | ARYLPYRIMIDINE COMPOUNDS AND COMBINATION THERAPY COMPRISING SAME FOR TREATING CYSTIC FIBROSIS & RELATED DISORDERS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010151747-A1 | PYRIMINE COMPOUNDS AND METHODS OF MAKING AND USING SAME | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2010-12-29 | — | — | WO | disclosed |
| EP-0007917-B1 | IMPROVEMENTS IN OR RELATING TO MEDIA FOR AFFINITY CHROMATOGRAPHY | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1984-02-01 | — | — | EP | disclosed |
| EP-0007917-A1 | IMPROVEMENTS IN OR RELATING TO MEDIA FOR AFFINITY CHROMATOGRAPHY. | SECR DEFENCE (GB) | 1980-02-06 | — | — | EP | disclosed |
| WO-1979000541-A1 | IMPROVEMENTS IN OR RELATING TO MEDIA FOR AFFINITY CHROMATOGRAPHY | SECR DEFENCE (GB) | 1979-08-09 | — | — | WO | disclosed |