⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21840766 | 1.00 | — | — | |
| SCHEMBL29960251 | 0.88 | CYP19A1 (0.32) | — | |
| SCHEMBL21840751 | 0.88 | CYP19A1 (0.32) | — | |
| SCHEMBL21840752 | 0.75 | KDR (0.30) | — | |
| SCHEMBL29961019 | 0.75 | KDR (0.30) | — | |
| SCHEMBL21840762 | 0.72 | KDR (0.30) | — | |
| SCHEMBL29960999 | 0.72 | KDR (0.30) | — | |
| SCHEMBL23088751 | 0.72 | PTGS2 (0.36) | — | |
| SCHEMBL30525105 | 0.72 | PTGS2 (0.36) | — | |
| SCHEMBL1453931 | 0.72 | ACHE (0.32) | — |
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-110650978-B | Dimethyl-silyl-bridged-1-substituted-2-indenyl metallocene complexes for olefin polymerization | SABIC环球技术有限责任公司 | 2022-09-23 | — | — | CN | disclosed |