⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23330841 | 0.75 | — | — | |
| SCHEMBL1143902 | 0.70 | — | — | |
| SCHEMBL3280228 | 0.69 | — | — | |
| SCHEMBL1931016 | 0.69 | — | — | |
| SCHEMBL17244850 | 0.67 | CA12 (0.33) | — | |
| SCHEMBL16403157 | 0.67 | POLB (0.31) | — | |
| SCHEMBL11442172 | 0.65 | POLB (0.31) | — | |
| SCHEMBL22925096 | 0.65 | — | — | |
| SCHEMBL1535634 | 0.64 | — | — | |
| SCHEMBL23613009 | 0.63 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230047529-A1 | METHOD FOR SYNTHESIZING ZIRCONIUM COMPLEX | JFE ENGINEERING CORPORATION (JP) | 2023-02-16 | — | — | US | disclosed |