⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6338008 | 0.76 | CYP1A2 (0.52) | — | |
| SCHEMBL24619815 | 0.75 | KDM4E (0.39) | — | |
| SCHEMBL11274166 | 0.71 | SIGMAR1 (0.47) | — | |
| SCHEMBL11262734 | 0.71 | CYP1A2 (0.50) | — | |
| SCHEMBL23280791 | 0.70 | — | — | |
| SCHEMBL13413769 | 0.70 | — | — | |
| SCHEMBL11274111 | 0.69 | SIGMAR1 (0.50) | — | |
| SCHEMBL11255472 | 0.66 | KDM5A (0.41) | — | |
| SCHEMBL22883611 | 0.66 | — | — | |
| SCHEMBL20343055 | 0.66 | LMNA (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 |
|---|---|---|---|---|---|---|---|
| WO-2022073469-A1 | COMPOUNDS AND METHODS OF TREATING CANCERS | CULLGEN (SHANGHAI) , INC. (CN) | 2022-04-14 | — | — | WO | disclosed |