⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8439849 | 0.77 | — | — | |
| SCHEMBL8443556 | 0.76 | ESR1 (0.33) | — | |
| SCHEMBL8441982 | 0.74 | MDM4 (0.31) | — | |
| SCHEMBL8444631 | 0.72 | MDM4 (0.33) | — | |
| SCHEMBL21785793 | 0.71 | RIPK1 (0.47) | — | |
| SCHEMBL1465849 | 0.69 | BACE1 (0.44) | — | |
| SCHEMBL8444000 | 0.69 | MMP1 (0.33) | — | |
| SCHEMBL8444636 | 0.69 | — | — | |
| SCHEMBL8441769 | 0.69 | MAPT (0.37) | — | |
| SCHEMBL8442024 | 0.68 | NR1H2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5962435-A | ANTICHOLESTEROL AGENT | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-05 | — | — | US | disclosed |
| US-5677291-A | Method of lowering serum cholesterol levels with 2,6-di-alkyl-4-silyl-phenols | HOECHST MARION ROUSSEL, INC. (US) | 1997-10-14 | — | — | US | disclosed |