⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19434714 | 1.00 | GLRA1 (0.47) | — | |
| SCHEMBL14934 | 1.00 | — | — | |
| Water SCHEMBL28405902 | 0.97 | GLRA1 (0.45) | — | |
| SCHEMBL9812291 | 0.97 | GLRA1 (0.45) | — | |
| SCHEMBL29749319 | 0.97 | GLRA1 (0.45) | — | |
| Bicarbonate SCHEMBL7624841 | 0.97 | GLRA1 (0.45) | — | |
| SCHEMBL11249096 | 0.97 | GLRA1 (0.45) | — | |
| Glycine SCHEMBL1234586 | 0.97 | GLRA1 (0.53) | — | |
| Glycine SCHEMBL1626730 | 0.97 | GLRA1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL2452130 | 0.97 | GLRA1 (0.45) | — |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |