⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28810398 | 0.76 | ABCB1 (0.35) | — | |
| SCHEMBL28810667 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL28809794 | 0.68 | CXCR3 (0.37) | — | |
| SCHEMBL28810610 | 0.67 | MCHR1 (0.35) | — | |
| SCHEMBL28810662 | 0.67 | CPB1 (0.32) | — | |
| SCHEMBL28809774 | 0.67 | CPB1 (0.32) | — | |
| SCHEMBL28811494 | 0.66 | CNR2 (0.31) | — | |
| SCHEMBL28809728 | 0.66 | ESR2 (0.32) | — | |
| SCHEMBL28810413 | 0.64 | CDK5 (0.33) | — | |
| SCHEMBL28810657 | 0.63 | SPR (0.34) | — |
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-114746090-A | Azaindole carboxamide compounds for the treatment of mycobacterial infections | 结核病药物开发全球联盟公司 | 2022-07-12 | — | — | CN | disclosed |