⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27934024 | 0.85 | — | — | |
| SCHEMBL26318603 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL29134238 | 0.81 | — | — | |
| SCHEMBL30548959 | 0.78 | — | — | |
| SCHEMBL166134 | 0.78 | — | — | |
| SCHEMBL441059 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL28057013 | 0.76 | — | — | |
| SCHEMBL23516125 | 0.72 | — | — | |
| SCHEMBL24449247 | 0.72 | — | — | |
| SCHEMBL12274364 | 0.72 | ALDH1A1 (0.67) | — |
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-8058381-B2 | Liquid curable fluorosilicone composition and production method thereof | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2011-11-15 | — | — | US | disclosed |
| US-20100234551-A1 | LIQUID CURABLE FLUOROSILICONE COMPOSITION AND PRODUCTION METHOD THEREOF | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-09-16 | — | — | US | disclosed |