⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19901209 | 0.99 | — | — | |
| SCHEMBL16640937 | 0.96 | HTT (0.32) | — | |
| SCHEMBL19901212 | 0.94 | — | — | |
| SCHEMBL19901214 | 0.94 | — | — | |
| SCHEMBL16640965 | 0.94 | — | — | |
| SCHEMBL16641023 | 0.86 | TP53 (0.39) | — | |
| SCHEMBL23521495 | 0.85 | LMNA (0.37) | — | |
| SCHEMBL19901217 | 0.85 | TP53 (0.39) | — | |
| SCHEMBL19901213 | 0.84 | ALOX5 (0.35) | — | |
| SCHEMBL16641024 | 0.83 | TP53 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9902803-B2 | Epoxy compound having alkoxy silyl group, composition comprising same, cured product, use thereof and method for preparing epoxy compound having alkoxy silyl group | KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) | 2018-02-27 | — | — | US | disclosed |