⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13844882 | 0.77 | — | — | |
| SCHEMBL19035776 | 0.69 | — | — | |
| SCHEMBL22083984 | 0.65 | — | — | |
| SCHEMBL19656122 | 0.64 | — | — | |
| SCHEMBL14114396 | 0.59 | — | — | |
| SCHEMBL22687940 | 0.58 | — | — | |
| SCHEMBL14275419 | 0.58 | — | — | |
| SCHEMBL8280798 | 0.55 | — | — | |
| SCHEMBL18271639 | 0.54 | — | — | |
| SCHEMBL469968 | 0.54 | — | — |
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-2008051805-A2 | TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS | SGX PHARMACEUTICALS, INC. (US) | 2008-05-02 | — | — | WO | disclosed |