⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28328262 | 0.77 | — | — | |
| SCHEMBL2912485 | 0.77 | — | — | |
| SCHEMBL22086464 | 0.77 | CHRM5 (0.52) | — | |
| SCHEMBL6343730 | 0.72 | — | — | |
| SCHEMBL25760813 | 0.72 | LOXL2 (0.42) | — | |
| SCHEMBL991345 | 0.71 | — | — | |
| SCHEMBL2724548 | 0.70 | — | — | |
| SCHEMBL3416208 | 0.69 | CHRM5 (0.58) | — | |
| Hydrochloric Acid SCHEMBL2306635 | 0.69 | ALDH1A1 (0.40) | — | |
| Hydrogen Sulfide SCHEMBL28130678 | 0.69 | ALDH1A1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102325766-B | Heteroaryl substituted pyridazinone derivatives | HOFFMANN LA ROCHE | 2015-03-18 | — | — | CN | disclosed |