⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28299084 | 0.75 | — | — | |
| SCHEMBL17769312 | 0.72 | HSD17B10 (0.40) | — | |
| SCHEMBL3485216 | 0.69 | HSD17B10 (0.37) | — | |
| SCHEMBL1332926 | 0.69 | — | — | |
| SCHEMBL1332928 | 0.69 | — | — | |
| SCHEMBL30558029 | 0.69 | — | — | |
| SCHEMBL8610305 | 0.66 | — | — | |
| SCHEMBL17769278 | 0.65 | — | — | |
| SCHEMBL8431231 | 0.64 | HSD17B10 (0.33) | — | |
| SCHEMBL3485650 | 0.62 | HSD17B10 (0.32) | — |
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 1 patent. 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 |