⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19336892 | 0.82 | NQO1 (0.31) | — | |
| SCHEMBL24333853 | 0.77 | NQO1 (0.32) | — | |
| SCHEMBL24217880 | 0.67 | NOS3 (0.48) | — | |
| SCHEMBL4301121 | 0.66 | — | — | |
| SCHEMBL23992578 | 0.65 | ALDH1A1 (0.45) | — | |
| SCHEMBL20907826 | 0.65 | — | — | |
| SCHEMBL8168153 | 0.65 | TDP1 (0.45) | — | |
| SCHEMBL23863464 | 0.65 | ALDH1A1 (0.45) | — | |
| SCHEMBL16130316 | 0.65 | TDP1 (0.45) | — | |
| SCHEMBL13974622 | 0.64 | — | — |
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-2012156367-A1 | AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES AS MKNK1 KINASE INHIBITORS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-11-22 | — | — | WO | disclosed |