⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5965366 | 0.75 | — | — | |
| SCHEMBL2179403 | 0.74 | — | — | |
| SCHEMBL20969063 | 0.74 | LMNA (0.40) | — | |
| SCHEMBL16360052 | 0.74 | LMNA (0.53) | — | |
| Hydrochloric Acid SCHEMBL5595901 | 0.72 | ECE1 (0.42) | — | |
| SCHEMBL149333 | 0.72 | TET2 (0.42) | — | |
| SCHEMBL3115669 | 0.72 | FOLH1 (0.39) | — | |
| SCHEMBL19876852 | 0.72 | LMNA (0.42) | — | |
| SCHEMBL8369782 | 0.72 | — | — | |
| SCHEMBL3713828 | 0.70 | CYP1A2 (0.44) | — |
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-0024965-A1 | Fluorinated methyl beta-alanine derivatives, their preparation and pharmaceutical compositions containing them | MERRELL TORAUDE ET COMPAGNIE (FR) | 1981-03-11 | — | — | EP | disclosed |