⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11208784 | 0.72 | — | — | |
| SCHEMBL7004901 | 0.69 | — | — | |
| SCHEMBL4632344 | 0.67 | TDP1 (0.40) | — | |
| SCHEMBL14583182 | 0.67 | — | — | |
| SCHEMBL7477596 | 0.65 | — | — | |
| SCHEMBL1099068 | 0.64 | — | — | |
| SCHEMBL13911183 | 0.63 | — | — | |
| SCHEMBL7484367 | 0.63 | — | — | |
| SCHEMBL12263879 | 0.60 | NOS3 (0.46) | — | |
| SCHEMBL1548060 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220169790-A1 | CARBOHYDRATE LIGANDS THAT BIND TO ANTIBODIES AGAINST GLYCOEPITOPES OF GLYCOSPHINGOLIPIDS | UNIV BASEL (CH) | 2022-06-02 | — | — | US | disclosed |
| EP-2855464-B1 | NITRIC OXIDE DONOR NEPRILYSIN INHIBITORS | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2016-10-26 | — | — | EP | disclosed |