⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23955975 | 0.82 | PTGS2 (0.33) | — | |
| SCHEMBL20528904 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL23956002 | 0.75 | PTGS2 (0.33) | — | |
| SCHEMBL23172666 | 0.73 | — | — | |
| SCHEMBL23955976 | 0.67 | PTGS2 (0.42) | — | |
| SCHEMBL23955996 | 0.65 | PTGS2 (0.40) | — | |
| SCHEMBL28340573 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL23955973 | 0.64 | PTGS2 (0.34) | — | |
| SCHEMBL23955974 | 0.64 | PTGS2 (0.34) | — | |
| Phenanthrene SCHEMBL5161188 | 0.61 | TSHR (0.48) | — |
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-11155659-B2 | Dimethyl-silyl-bridged-1-substituted-2-indenyl metallocene complexes for olefin polymerization | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2021-10-26 | — | — | US | disclosed |