⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18098766 | 0.78 | — | — | |
| SCHEMBL24675774 | 0.77 | — | — | |
| Acetaldehyde SCHEMBL10934614 | 0.70 | — | — | |
| SCHEMBL8398637 | 0.70 | — | — | |
| SCHEMBL16864434 | 0.69 | — | — | |
| SCHEMBL105334 | 0.67 | — | — | |
| SCHEMBL3410212 | 0.67 | — | — | |
| SCHEMBL862568 | 0.67 | — | — | |
| SCHEMBL17589076 | 0.67 | — | — | |
| SCHEMBL6506163 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3203840-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2020-08-05 | — | — | EP | disclosed |