⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5452732 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL9576402 | 0.75 | — | — | |
| SCHEMBL1780920 | 0.72 | — | — | |
| SCHEMBL1784686 | 0.68 | — | — | |
| SCHEMBL8976865 | 0.68 | — | — | |
| SCHEMBL1782179 | 0.68 | THRB (0.33) | — | |
| SCHEMBL5925211 | 0.67 | — | — | |
| SCHEMBL15474420 | 0.67 | — | — | |
| SCHEMBL3383717 | 0.65 | — | — | |
| SCHEMBL1780758 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1300440-B1 | SILICONE RUBBER COMPOSITIONS FOR RUBBER CONSTRUCTION MATERIALS | SHINETSU CHEMICAL CO (JP) | 2017-01-04 | — | — | EP | disclosed |
| US-6770690-B2 | USE IN RUBBER CONSTRUCTION MATERIALS CONTAINS DISPERSED PARTICLES HAVING A PHOTOCATALYTIC ACTIVITY. THE PARTICLES ARE SURFACE-TREATED WITH A COMPOUND THAT CAN EASILY BE DETERIORATED BY THE PHOTOCATALYTIC ACTIVITY | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2004-08-03 | — | — | US | disclosed |
| US-20030119975-A1 | Silicone rubber compositions for rubber construction materials | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2003-06-26 | — | — | US | disclosed |
| EP-1300440-A1 | Silicone rubber compositions for rubber construction materials | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2003-04-09 | — | — | EP | disclosed |