⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15555 | 0.88 | SLC1A3 (0.32) | — | |
| Bicarbonate SCHEMBL7187882 | 0.81 | SLC1A3 (0.31) | — | |
| SCHEMBL284376 | 0.76 | ATP1A1 (0.30) | — | |
| Formic Acid SCHEMBL2248027 | 0.74 | ATP1A1 (0.32) | — | |
| SCHEMBL8401956 | 0.70 | GRM2 (0.30) | — | |
| Bicarbonate SCHEMBL3257317 | 0.68 | — | — | |
| SCHEMBL25307196 | 0.68 | SLC1A3 (0.35) | — | |
| SCHEMBL15437 | 0.67 | CYP2C19 (0.33) | — | |
| SCHEMBL467512 | 0.67 | SLC1A3 (0.31) | — | |
| SCHEMBL1302443 | 0.67 | GRM2 (0.30) | — |
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-5476748-A | Containing liquid epoxy resin, acrylated ester, photointiator and hydroxyl terminated polyethers, polyesters, or polyurethanes | CIBA-GEIGY CORPORATION (US) | 1995-12-19 | — | — | US | disclosed |