⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11081677 | 0.66 | — | — | |
| SCHEMBL19343232 | 0.65 | CETP (0.32) | — | |
| SCHEMBL5623960 | 0.65 | — | — | |
| SCHEMBL11076884 | 0.65 | AOC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL10672557 | 0.63 | — | — | |
| SCHEMBL19194817 | 0.63 | — | — | |
| SCHEMBL6994682 | 0.63 | — | — | |
| SCHEMBL20472995 | 0.63 | — | — | |
| SCHEMBL10002515 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL11972147 | 0.61 | — | — |
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 |