⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2107305 | 0.89 | — | — | |
| SCHEMBL14727466 | 0.79 | — | — | |
| Ethylene Glycol SCHEMBL11808919 | 0.73 | TSHR (0.42) | — | |
| Ethylene Glycol SCHEMBL21802491 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL14266896 | 0.73 | — | — | |
| SCHEMBL2528538 | 0.71 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL22440719 | 0.71 | TSHR (0.56) | — | |
| SCHEMBL23629635 | 0.70 | — | — | |
| Methyl Alcohol SCHEMBL16240074 | 0.69 | ALDH1A1 (0.47) | — | |
| Methyl Alcohol SCHEMBL7165044 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1795536-A1 | PHOSPHORAMIDITE COMPOUND AND METHOD FOR PRODUCING OLIGO-RNA | Nippon Shinyaku Co., Ltd. (JP) | 2007-06-13 | — | — | EP | disclosed |