⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24289393 | 0.79 | — | — | |
| SCHEMBL2904167 | 0.73 | MAPT (0.40) | — | |
| SCHEMBL35211808 | 0.70 | CES2 (0.33) | — | |
| SCHEMBL6898456 | 0.70 | CES2 (0.33) | — | |
| SCHEMBL38659796 | 0.67 | MAPK10 (0.36) | — | |
| SCHEMBL27930897 | 0.67 | IDO1 (0.35) | — | |
| SCHEMBL19909186 | 0.67 | RAB9A (0.34) | — | |
| SCHEMBL28066488 | 0.66 | MAPT (0.34) | — | |
| SCHEMBL28214746 | 0.64 | CREBBP (0.38) | — | |
| SCHEMBL25430666 | 0.64 | MAPT (0.46) | — |
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 |