⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14618035 | 0.73 | LPAR2 (0.34) | — | |
| SCHEMBL12879660 | 0.72 | — | — | |
| SCHEMBL22645186 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL27932147 | 0.66 | TRPA1 (0.33) | — | |
| SCHEMBL6057296 | 0.66 | — | — | |
| SCHEMBL13117369 | 0.66 | TRPA1 (0.33) | — | |
| SCHEMBL3307243 | 0.64 | — | — | |
| SCHEMBL16943702 | 0.64 | — | — | |
| SCHEMBL7961708 | 0.63 | — | — | |
| SCHEMBL55475 | 0.63 | — | — |
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-3131582-B1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES | VERTEX PHARMA (US) | 2018-05-23 | — | — | EP | disclosed |