⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28202065 | 0.81 | LOXL2 (0.35) | — | |
| SCHEMBL14519358 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28184282 | 0.72 | CHRM5 (0.50) | — | |
| SCHEMBL27531641 | 0.70 | — | — | |
| SCHEMBL15758182 | 0.67 | — | — | |
| SCHEMBL28288358 | 0.66 | HCAR2 (0.33) | — | |
| SCHEMBL2103936 | 0.66 | LOXL2 (0.34) | — | |
| SCHEMBL28284697 | 0.64 | HCAR2 (0.45) | — | |
| SCHEMBL30202555 | 0.63 | — | — | |
| SCHEMBL221871 | 0.63 | — | — |
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-104837843-B | Imidazopyridazine derivant as GABAA receptor modulators | 辉瑞有限公司 | 2016-08-31 | — | — | CN | disclosed |
| CN-104803920-A | 3,6-dibromopyridazide synthesis method | SHANDONG YOUBANG BIOCHEMICAL TECHNOLOGY CO LTD | 2015-07-29 | — | — | CN | disclosed |