⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37970 | 0.87 | — | — | |
| Cyanide SCHEMBL27863530 | 0.80 | — | — | |
| SCHEMBL11424405 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL27678608 | 0.76 | — | — | |
| Water SCHEMBL2192190 | 0.72 | — | — | |
| SCHEMBL25008 | 0.72 | — | — | |
| SCHEMBL30498455 | 0.72 | — | — | |
| Ethylene Glycol SCHEMBL4854205 | 0.71 | ALDH1A1 (0.37) | — | |
| Pentane SCHEMBL27863563 | 0.71 | TSHR (0.60) | — | |
| SCHEMBL29172255 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109414681-A | Hybrid material for chromatographic separations comprising a surface porous core and surrounding material | 沃特世科技公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-109154604-A | Charged surface reverse phase chromatography material method for analysis of glycans modified with amphiphilic strongly basic moieties | 沃特世科技公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-109070050-A | The porous surface material of the core comprising coating for chromatographic isolation with narrow particle size distribution, preparation method, with and application thereof | 沃特世科技公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-108136275-A | For the high-purity chromatographic material for including ion pairing Bonded Phase of supercritical fluid chromatography | 沃特世科技公司 | 2018-06-08 | — | — | CN | disclosed |