⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1850398 | 0.85 | — | — | |
| SCHEMBL1481664 | 0.81 | ADRA1A (0.33) | — | |
| SCHEMBL18207409 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL3525003 | 0.74 | ADRA1A (0.33) | — | |
| SCHEMBL9836436 | 0.73 | — | — | |
| SCHEMBL10319324 | 0.72 | KMT2A (0.40) | — | |
| SCHEMBL29225646 | 0.72 | BACE1 (0.32) | — | |
| SCHEMBL7770583 | 0.71 | DYRK1A (0.32) | — | |
| SCHEMBL6786447 | 0.70 | — | — | |
| SCHEMBL732161 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |