⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11967315 | 0.82 | PIK3CA (0.30) | — | |
| SCHEMBL20556654 | 0.78 | PIK3CA (0.32) | — | |
| SCHEMBL11836639 | 0.73 | — | — | |
| SCHEMBL15357762 | 0.72 | — | — | |
| SCHEMBL15357775 | 0.72 | — | — | |
| SCHEMBL21212490 | 0.70 | — | — | |
| SCHEMBL15357763 | 0.69 | — | — | |
| SCHEMBL21149317 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL21924892 | 0.67 | — | — | |
| SCHEMBL17768671 | 0.65 | PIK3CD (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 |