⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28320381 | 0.72 | — | — | |
| SCHEMBL6746950 | 0.69 | MEN1 (0.34) | — | |
| SCHEMBL6002302 | 0.69 | — | — | |
| SCHEMBL27614199 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL10693612 | 0.67 | — | — | |
| SCHEMBL6569289 | 0.67 | — | — | |
| SCHEMBL10690744 | 0.66 | — | — | |
| SCHEMBL11668556 | 0.65 | — | — | |
| SCHEMBL2539355 | 0.64 | — | — | |
| SCHEMBL8081213 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4737563-A | USING DIHYDROISOPROPENYLOXYSILANE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1988-04-12 | — | — | US | disclosed |