⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL957889 | 0.65 | — | — | |
| SCHEMBL16837106 | 0.55 | — | — | |
| SCHEMBL1199564 | 0.50 | — | — | |
| SCHEMBL7836652 | 0.50 | — | — | |
| SCHEMBL6346250 | 0.48 | — | — | |
| SCHEMBL388722 | 0.48 | — | — | |
| SCHEMBL1431864 | 0.46 | — | — | |
| SCHEMBL232122 | 0.46 | — | — | |
| SCHEMBL11376830 | 0.46 | TRIM24 (0.31) | — | |
| SCHEMBL11376825 | 0.46 | TRIM24 (0.31) | — |
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-2010075197-A1 | KINASE INHIBITORS | ALLERGAN, INC. (US) | 2010-07-01 | — | — | WO | disclosed |