⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL477075 | 0.79 | — | — | |
| SCHEMBL16237326 | 0.78 | CHRNB2 (0.34) | — | |
| SCHEMBL11382491 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11375385 | 0.71 | — | — | |
| SCHEMBL940795 | 0.70 | — | — | |
| SCHEMBL9095092 | 0.67 | — | — | |
| SCHEMBL30196745 | 0.67 | — | — | |
| SCHEMBL30915787 | 0.67 | — | — | |
| SCHEMBL27467506 | 0.65 | NISCH (0.34) | — | |
| Hydrochloric Acid SCHEMBL9777622 | 0.64 | — | — |
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-108473478-A | TBK/IKK inhibitor compounds and uses thereof | 默克专利有限公司 | 2018-08-31 | — | — | CN | disclosed |