⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL970493 | 0.71 | PDE1B (0.32) | — | |
| SCHEMBL972354 | 0.70 | — | — | |
| SCHEMBL8829980 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL4932430 | 0.68 | — | — | |
| SCHEMBL6776319 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL2251105 | 0.67 | — | — | |
| SCHEMBL4018107 | 0.67 | LOXL2 (0.59) | — | |
| SCHEMBL9519796 | 0.67 | LOX (0.39) | — | |
| SCHEMBL4024225 | 0.67 | LOX (0.50) | — | |
| SCHEMBL1244340 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0582304-B1 | Methods of producing amino butene derivatives | FUJIREBIO KK (JP) | 1998-04-01 | — | — | EP | claimed |
| US-5616711-A | REACTING BUTENE DERIVATIVE TO AN AMIDE DERIVATIVE; USEFUL AS INTERMEDIATES FOR PRODUCING ANTIULCER DRUGS | FUJIREBIO INC. (JP) | 1997-04-01 | — | — | US | claimed |
| EP-0582304-A2 | Methods of producing amino butene derivatives | FUJIREBIO Inc. (JP) | 1994-02-09 | — | — | EP | claimed |
| 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 |
| EP-0582304-A2 | Methods of producing amino butene derivatives | FUJIREBIO Inc. (JP) | 1994-02-09 | — | — | EP | disclosed |