⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1020019 | 0.82 | — | — | |
| SCHEMBL9585705 | 0.82 | CYP1A2 (0.39) | — | |
| SCHEMBL1453675 | 0.80 | TRPA1 (0.41) | — | |
| SCHEMBL26003706 | 0.80 | TRPA1 (0.41) | — | |
| SCHEMBL1454919 | 0.80 | TRPA1 (0.41) | — | |
| SCHEMBL6015412 | 0.80 | TRPA1 (0.41) | — | |
| SCHEMBL1017438 | 0.80 | TRPA1 (0.41) | — | |
| SCHEMBL1016500 | 0.80 | — | — | |
| SCHEMBL19233495 | 0.79 | MAPT (0.37) | — | |
| SCHEMBL29684541 | 0.79 | MAPT (0.42) | — |
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-0827423-B1 | FUNCTIONALIZED CHAIN EXTENDED INITIATORS FOR ANIONIC POLYMERIZATION | FMC CORP (US) | 2007-12-12 | — | — | EP | claimed |