⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7053148 | 0.83 | — | — | |
| SCHEMBL8368472 | 0.73 | — | — | |
| SCHEMBL10317692 | 0.70 | ATM (0.31) | — | |
| SCHEMBL124751 | 0.67 | TSHR (0.39) | — | |
| Phosphine SCHEMBL28225524 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL2599044 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL2522935 | 0.65 | TSHR (0.37) | — | |
| Fluoride SCHEMBL27639907 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL12191027 | 0.62 | ACHE (0.50) | — | |
| SCHEMBL29940873 | 0.61 | LMNA (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0985674-B1 | ORGANIC COMPOUNDS CONTAINING SILICON OR GERMANIUM, TRANSITION METAL COMPLEXES, CATALYST FOR ALPHA-OLEFIN POLYMERIZATION, AND PROCESSES FOR PRODUCING ALPHA-OLEFIN POLYMERS | MITSUBISHI CHEM CORP (JP) | 2003-04-23 | — | — | EP | disclosed |
| EP-0617044-B1 | Process for preparing cyclopentadienyl group-containing silicon compound or cyclopentadienyl group-containing germanium compound | MITSUI CHEMICALS INC (JP) | 1999-01-20 | — | — | EP | disclosed |