⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22304543 | 0.84 | PDCD1LG2 (0.32) | — | |
| SCHEMBL27009191 | 0.82 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL21688341 | 0.81 | GAA (0.33) | — | |
| SCHEMBL3478137 | 0.81 | GAA (0.33) | — | |
| SCHEMBL21675901 | 0.81 | GAA (0.33) | — | |
| SCHEMBL24802750 | 0.79 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL19159637 | 0.78 | DRD3 (0.34) | — | |
| SCHEMBL21993665 | 0.77 | — | — | |
| SCHEMBL23386633 | 0.77 | POLB (0.37) | — | |
| SCHEMBL23480670 | 0.77 | POLB (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200247821-A1 | MACROCYCLIC COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2020-08-06 | — | — | US | disclosed |
| US-10450316-B2 | Certain protein kinase inhibitor | Chongqing Fochon Pharmaceutical Co., Ltd. (CN) | 2019-10-22 | — | — | US | disclosed |