⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3354327 | 0.85 | — | — | |
| SCHEMBL1177810 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL6431676 | 0.77 | — | — | |
| SCHEMBL5096201 | 0.76 | — | — | |
| SCHEMBL229907 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL19712271 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL27847586 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL31620918 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL9575274 | 0.71 | — | — | |
| SCHEMBL5024364 | 0.70 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023100991-A1 | SILSESQUIOXANE DERIVATIVE, CURABLE COMPOSITION, HARD COAT AGENT, CURED PRODUCT, HARD COAT, AND BASE MATERIAL | 東亞合成株式会社 | 2023-06-08 | — | — | WO | disclosed |
| WO-2023100992-A1 | SILSESQUIOXANE DERIVATIVE, CURABLE COMPOSITION, CURED PRODUCT, AND BASE MATERIAL | 東亞合成株式会社 | 2023-06-08 | — | — | WO | disclosed |
| US-20120004437-A1 | METHOD FOR PRODUCING (METH)ACRYLOSILANES | WACKER CHEMIE AG (DE) | 2012-01-05 | — | — | US | disclosed |