⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14603073 | 0.79 | TYR (0.44) | — | |
| SCHEMBL6569781 | 0.77 | — | — | |
| SCHEMBL1880278 | 0.77 | ALOX5 (0.44) | — | |
| SCHEMBL1010195 | 0.76 | — | — | |
| SCHEMBL17611676 | 0.76 | AKR1B1 (0.42) | — | |
| SCHEMBL6035823 | 0.74 | CYP4F2 (0.50) | — | |
| SCHEMBL1131739 | 0.73 | — | — | |
| SCHEMBL12242758 | 0.73 | — | — | |
| SCHEMBL34847 | 0.73 | — | — | |
| SCHEMBL1549971 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240025877-A1 | PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED | 2024-01-25 | — | — | US | disclosed |
| CN-213611270-U | Washable hydrazine substance feeding device | 帕潘纳(北京)科技有限公司 | 2021-07-06 | — | — | CN | disclosed |
| US-7579354-B2 | Adenosine receptor antagonists and methods of making and using the same | KIESMAN WILLIAM F | 2009-08-25 | — | — | US | disclosed |