⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18705140 | 0.90 | HRH3 (0.31) | — | |
| SCHEMBL18705137 | 0.83 | — | — | |
| SCHEMBL19756445 | 0.79 | HRH3 (0.31) | — | |
| SCHEMBL16984290 | 0.79 | HRH3 (0.31) | — | |
| SCHEMBL18705136 | 0.74 | HRH3 (0.36) | — | |
| SCHEMBL22306023 | 0.73 | — | — | |
| SCHEMBL18705139 | 0.73 | — | — | |
| SCHEMBL16659520 | 0.72 | — | — | |
| SCHEMBL19734247 | 0.70 | HRH3 (0.30) | — | |
| SCHEMBL22008377 | 0.69 | HRH3 (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 |
|---|---|---|---|---|---|---|---|
| US-20170196862-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-13 | — | — | US | disclosed |