⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8595070 | 0.73 | — | — | |
| SCHEMBL7208598 | 0.70 | — | — | |
| SCHEMBL10340587 | 0.70 | GAA (0.33) | — | |
| SCHEMBL8744289 | 0.67 | NAAA (0.40) | — | |
| SCHEMBL8587514 | 0.66 | — | — | |
| SCHEMBL8196767 | 0.64 | ACE (0.33) | — | |
| SCHEMBL765963 | 0.60 | — | — | |
| SCHEMBL22142391 | 0.60 | — | — | |
| SCHEMBL22142065 | 0.60 | — | — | |
| SCHEMBL12702950 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111315725-B | 4- (3, 4-dihydronaphthalen-1-yl or 2H-chromen-4-yl) -5-hydroxy-2H-pyridazin-3-one as herbicides | FMC公司 | 2023-09-01 | — | — | CN | disclosed |
| CN-116249697-A | Bicycloheptane pyrrolidine orexin receptor agonists | 默沙东有限责任公司 | 2023-06-09 | — | — | CN | disclosed |