⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12825303 | 0.73 | — | — | |
| SCHEMBL20350072 | 0.73 | — | — | |
| SCHEMBL21782896 | 0.67 | — | — | |
| SCHEMBL21444664 | 0.67 | — | — | |
| SCHEMBL8440703 | 0.66 | — | — | |
| SCHEMBL910475 | 0.64 | — | — | |
| SCHEMBL21100186 | 0.64 | — | — | |
| SCHEMBL14040684 | 0.64 | — | — | |
| SCHEMBL12463815 | 0.64 | — | — | |
| SCHEMBL20216887 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2017175161-A1 | SOLID FORMS OF LUMACAFTOR, ITS SALTS AND PROCESSES THEREOF | DR. REDDY’S LABORATORIES LIMITED (IN) | 2017-10-12 | — | — | WO | disclosed |