⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4043100 | 0.69 | HCAR2 (0.33) | — | |
| SCHEMBL4121707 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL4041013 | 0.67 | HCAR2 (0.33) | — | |
| SCHEMBL20801088 | 0.64 | NOS3 (0.37) | — | |
| SCHEMBL18858535 | 0.64 | NOS3 (0.42) | — | |
| SCHEMBL12088824 | 0.63 | ASIC3 (0.49) | — | |
| SCHEMBL4004689 | 0.61 | GABRP (0.57) | — | |
| SCHEMBL17627890 | 0.59 | KMO (0.50) | — | |
| SCHEMBL3392295 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL13534012 | 0.58 | MRGPRX4 (0.45) | — |
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-20090069334-A1 | Pyridazine based alpha-helix mimetics | THE SCRIPPS RESEARCH INSTITUTE (US) | 2009-03-12 | — | — | US | disclosed |