⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9958764 | 0.84 | SLC22A6 (0.33) | — | |
| SCHEMBL3107444 | 0.82 | — | — | |
| SCHEMBL17998003 | 0.80 | SLC22A6 (0.33) | — | |
| SCHEMBL1255080 | 0.78 | — | — | |
| SCHEMBL17873325 | 0.78 | — | — | |
| SCHEMBL17998005 | 0.76 | SLC22A6 (0.33) | — | |
| SCHEMBL17998001 | 0.76 | SLC22A6 (0.30) | — | |
| SCHEMBL3101130 | 0.71 | SLC22A6 (0.32) | — | |
| SCHEMBL1131424 | 0.71 | SLC22A6 (0.32) | — | |
| SCHEMBL536378 | 0.71 | OR51E2 (0.41) | — |
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-2226347-B1 | EPOXY RESIN CURING AGENT, METHOD FOR PRODUCING THE SAME, AND EPOXY RESIN COMPOSITION | SHOWA DENKO KK (JP) | 2012-06-27 | — | — | EP | claimed |