⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19211860 | 1.00 | — | — | |
| SCHEMBL8553354 | 1.00 | — | — | |
| SCHEMBL6661737 | 0.74 | — | — | |
| SCHEMBL8588631 | 0.71 | — | — | |
| SCHEMBL3951383 | 0.71 | — | — | |
| SCHEMBL24139723 | 0.71 | — | — | |
| SCHEMBL1485603 | 0.71 | — | — | |
| SCHEMBL662803 | 0.69 | — | — | |
| SCHEMBL19143743 | 0.69 | — | — | |
| SCHEMBL444658 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6107607-A | — | — | None | — | — | JP | disclosed |
| EP-0582304-B1 | Methods of producing amino butene derivatives | FUJIREBIO KK (JP) | 1998-04-01 | — | — | EP | disclosed |
| US-5616711-A | REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS | FUJIREBIO INC. (JP) | 1997-04-01 | — | — | US | disclosed |
| JP-H06107607-A | PRODUCTION OF AMINOBUTENOL | FUJIREBIO INC | 1994-04-19 | — | — | JP | disclosed |
| EP-0582304-A2 | Methods of producing amino butene derivatives | FUJIREBIO Inc. (JP) | 1994-02-09 | — | — | EP | disclosed |