⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL28044868 | 0.77 | CYP3A4 (0.33) | — | |
| SCHEMBL57766 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL29929889 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL6481632 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL11653035 | 0.76 | — | — | |
| SCHEMBL22973779 | 0.75 | CA12 (0.36) | — | |
| SCHEMBL3424229 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL20873144 | 0.74 | — | — | |
| SCHEMBL28502590 | 0.74 | — | — | |
| SCHEMBL20873142 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105254674-B | Alkyl-dimethyl oxygroup silicic acid phosphine heterocycle methyl compound and preparation method thereof | 苏州科技大学 | 2018-05-18 | — | — | CN | disclosed |
| CN-105254674-A | Alkyl dimethoxy silicic phosphine heterocyclic methyl ester compound and preparing method thereof | USTC UNIV SCIENCE TECH CN | 2016-01-20 | — | — | CN | disclosed |