⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28467928 | 0.99 | — | — | |
| SCHEMBL28473481 | 0.98 | — | — | |
| SCHEMBL28469965 | 0.80 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL28470678 | 0.78 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL20745835 | 0.70 | NUDT1 (0.31) | — | |
| SCHEMBL20745699 | 0.69 | CCR1 (0.34) | — | |
| SCHEMBL22262721 | 0.68 | CHRM2 (0.35) | — | |
| SCHEMBL20746024 | 0.67 | KDM4C (0.33) | — | |
| SCHEMBL20745059 | 0.67 | CHRM2 (0.34) | — | |
| SCHEMBL20745531 | 0.65 | SLC22A12 (0.33) | — |
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-111818916-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2020-10-23 | — | — | CN | disclosed |