⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23348669 | 0.80 | — | — | |
| SCHEMBL8040437 | 0.78 | — | — | |
| SCHEMBL8040435 | 0.78 | — | — | |
| SCHEMBL14104006 | 0.76 | — | — | |
| SCHEMBL9715731 | 0.74 | — | — | |
| SCHEMBL14400820 | 0.74 | — | — | |
| SCHEMBL7621699 | 0.73 | — | — | |
| SCHEMBL7620815 | 0.73 | — | — | |
| SCHEMBL1033615 | 0.73 | — | — | |
| SCHEMBL20863314 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180194721-A1 | DIFLUOROALKYLCYCLOPROPYL AMINO ACIDS AND ESTERS, AND SYNTHESES THEREOF | ABBVIE INC. | 2018-07-12 | — | — | US | disclosed |
| US-9809534-B1 | Difluoroalkylcyclopropyl amino acids and esters, and syntheses thereof | ABBVIE INC. (US) | 2017-11-07 | — | — | US | disclosed |