⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL998630 | 0.75 | AR (0.34) | — | |
| SCHEMBL3892570 | 0.70 | — | — | |
| SCHEMBL27717285 | 0.64 | — | — | |
| SCHEMBL16370025 | 0.64 | — | — | |
| SCHEMBL1291213 | 0.62 | — | — | |
| SCHEMBL1169619 | 0.62 | — | — | |
| SCHEMBL7705847 | 0.62 | FDPS (0.30) | — | |
| SCHEMBL10127534 | 0.62 | — | — | |
| Methylethyl Ketone Cyanohydrin SCHEMBL172508 | 0.60 | — | — | |
| Acetonitrile SCHEMBL28052431 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020039769-A1 | Process for preparing optically active 3,3,3- trifluoromethyl-2-alkylpropionic acid derivatives | LONZA AG | 2002-04-04 | — | — | US | disclosed |