⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17051363 | 0.94 | — | — | |
| SCHEMBL17345229 | 0.89 | VDR (0.31) | — | |
| SCHEMBL17366113 | 0.89 | — | — | |
| SCHEMBL17051360 | 0.83 | — | — | |
| SCHEMBL17345227 | 0.79 | — | — | |
| SCHEMBL17345248 | 0.76 | HPGD (0.46) | — | |
| SCHEMBL17345239 | 0.76 | MEN1 (0.37) | — | |
| SCHEMBL17345241 | 0.73 | NPC1 (0.33) | — | |
| SCHEMBL17051356 | 0.73 | — | — | |
| SCHEMBL17345246 | 0.72 | ALDH1A1 (0.31) | — |
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-9732182-B2 | Epoxy compound having alkoxysilyl group, method of preparing the same, composition and cured product comprising the same, and use thereof | KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) | 2017-08-15 | — | — | US | disclosed |
| US-20150361211-A1 | EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, METHOD OF PREPARING THE SAME, COMPOSITION AND CURED PRODUCT COMPRISING THE SAME, AND USE THEREOF | KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) | 2015-12-17 | — | — | US | disclosed |