⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12849385 | 0.81 | PIK3CG (0.37) | — | |
| SCHEMBL9136380 | 0.79 | — | — | |
| SCHEMBL7993606 | 0.79 | — | — | |
| SCHEMBL3265214 | 0.73 | — | — | |
| SCHEMBL9135636 | 0.71 | LRRK2 (0.36) | — | |
| SCHEMBL15304184 | 0.71 | — | — | |
| SCHEMBL10863351 | 0.70 | HDAC6 (0.30) | — | |
| SCHEMBL21721044 | 0.70 | CDK2 (0.33) | — | |
| SCHEMBL2629342 | 0.69 | — | — | |
| SCHEMBL16022256 | 0.68 | HDAC6 (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 |
|---|---|---|---|---|---|---|---|
| WO-2023108103-A1 | RAF KINASE INHIBITORS AND METHODS OF USE THEREOF | DECIPHERA PHARMACEUTICALS, LLC (US) | 2023-06-15 | — | — | WO | disclosed |