⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11081036 | 0.97 | — | — | |
| SCHEMBL11074723 | 0.75 | — | — | |
| SCHEMBL891763 | 0.71 | — | — | |
| SCHEMBL13716609 | 0.71 | — | — | |
| SCHEMBL6295288 | 0.69 | — | — | |
| SCHEMBL27866767 | 0.67 | — | — | |
| SCHEMBL15567744 | 0.67 | — | — | |
| SCHEMBL13370061 | 0.67 | — | — | |
| SCHEMBL20640616 | 0.67 | — | — | |
| SCHEMBL14514441 | 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-0046711-B1 | FLUORINATED AMINO-BUTYRIC ACID AND DIAMINOBUTANE DERIVATIVES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-09-05 | — | — | EP | disclosed |
| US-4418077-A | INHIBITORS OF GAMMA-AMINOBUTYRIC ACID TRANSAMINASE | MERRELL TORAUDE ET COMPAGNIE (FR) | 1983-11-29 | — | — | US | disclosed |
| EP-0046711-A1 | Fluorinated amino-butyric acid and diaminobutane derivatives | MERRELL TORAUDE ET COMPAGNIE (FR) | 1982-03-03 | — | — | EP | disclosed |