⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4546376 | 0.86 | — | — | |
| SCHEMBL25580862 | 0.74 | — | — | |
| SCHEMBL23989372 | 0.74 | — | — | |
| SCHEMBL24769034 | 0.74 | — | — | |
| SCHEMBL23989365 | 0.74 | — | — | |
| SCHEMBL25681310 | 0.74 | — | — | |
| SCHEMBL24769040 | 0.74 | — | — | |
| SCHEMBL4550108 | 0.70 | — | — | |
| SCHEMBL13810330 | 0.68 | — | — | |
| SCHEMBL23991064 | 0.67 | KDM4E (0.33) | — |
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-20210347742-A1 | CFTR REGULATORS AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2021-11-11 | — | — | US | disclosed |