⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7703201 | 0.77 | — | — | |
| SCHEMBL9967655 | 0.76 | — | — | |
| SCHEMBL18527596 | 0.70 | — | — | |
| SCHEMBL28127209 | 0.69 | — | — | |
| SCHEMBL10800710 | 0.67 | — | — | |
| SCHEMBL4142859 | 0.67 | — | — | |
| SCHEMBL28685080 | 0.67 | — | — | |
| SCHEMBL28168699 | 0.67 | — | — | |
| SCHEMBL26116496 | 0.67 | — | — | |
| SCHEMBL3857558 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1155138-B1 | METHOD FOR PREPARING OPTICALLY ACTIVE 3,3,3-TRIFLUOROMETHYL-2-ALKYL PROPIONIC ACID DERIVATIVES | LONZA AG (CH) | 2005-01-05 | — | — | EP | claimed |
| US-6599721-B2 | Chemical intermediates; hydrolysis using hydrolases | LONZA AG (CH) | 2003-07-29 | — | — | US | claimed |
| US-6599721-B2 | Chemical intermediates; hydrolysis using hydrolases | LONZA AG (CH) | 2003-07-29 | — | — | US | disclosed |