⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10036201 | 0.81 | — | — | |
| SCHEMBL13595072 | 0.80 | — | — | |
| SCHEMBL13039737 | 0.79 | — | — | |
| SCHEMBL10013672 | 0.70 | — | — | |
| SCHEMBL12261306 | 0.67 | — | — | |
| SCHEMBL7928079 | 0.66 | TSHR (0.45) | — | |
| SCHEMBL6251160 | 0.66 | CYP2D6 (0.37) | — | |
| SCHEMBL14298961 | 0.65 | — | — | |
| SCHEMBL12375242 | 0.62 | — | — | |
| SCHEMBL7949200 | 0.62 | — | — |
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-8173759-B2 | Organopolysilmethylene and a composition comprising the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2012-05-08 | — | — | US | disclosed |
| US-20110046310-A1 | ORGANOPOLYSILMETHYLENE AND A COMPOSITION COMPRISING THE SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-02-24 | — | — | US | disclosed |