⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1042812 | 0.86 | — | — | |
| SCHEMBL30532723 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL29508586 | 0.84 | — | — | |
| SCHEMBL30675167 | 0.84 | — | — | |
| Pyrrole SCHEMBL28201580 | 0.84 | — | — | |
| Hydrazine SCHEMBL28121587 | 0.82 | — | — | |
| Piperazine SCHEMBL27841791 | 0.81 | — | — | |
| Chloroform SCHEMBL27610928 | 0.79 | — | — | |
| Pyrrolidine SCHEMBL28229892 | 0.78 | — | — | |
| Octane SCHEMBL28271177 | 0.76 | GPR84 (0.36) | — |
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-103965200-B | As imidazo [1,2-B] pyridazine compound of the replacement of TRK kinase inhibitor | 阵列生物制药公司 | 2016-06-08 | — | — | CN | disclosed |