⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16477660 | 0.85 | — | — | |
| SCHEMBL16477662 | 0.82 | — | — | |
| SCHEMBL6699368 | 0.79 | — | — | |
| SCHEMBL824085 | 0.79 | — | — | |
| SCHEMBL23142661 | 0.78 | — | — | |
| SCHEMBL16477659 | 0.77 | — | — | |
| SCHEMBL16477661 | 0.76 | — | — | |
| SCHEMBL16480202 | 0.74 | — | — | |
| SCHEMBL18533240 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL295866 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143362-B2 | Composition containing unsaturated silicone compounds, dental materials containing them and use thereof | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-20100331444-A1 | COMPOSITION CONTAINING UNSATURATED SILICONE COMPOUNDS, DENTAL MATERIALS CONTAINING THEM AND USE THEREOF | 3M ESPE AG (A WHOLLY-OWNED SUBSIDUARY OF 3M COMPANY) | 2010-12-30 | — | — | US | disclosed |
| US-7807730-B2 | Composition containing unsaturated silicone compounds, dental materials containing them and use thereof | 3M ESPE AG (DE) | 2010-10-05 | — | — | US | disclosed |