⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13537725 | 0.92 | ACHE (0.31) | — | |
| SCHEMBL6180102 | 0.83 | — | — | |
| SCHEMBL2419274 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL1284013 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL28809578 | 0.80 | MEN1 (0.30) | — | |
| SCHEMBL28325876 | 0.80 | MEN1 (0.30) | — | |
| SCHEMBL22129888 | 0.80 | MEN1 (0.30) | — | |
| SCHEMBL11883972 | 0.80 | FFAR1 (0.35) | — | |
| SCHEMBL1410619 | 0.76 | — | — | |
| SCHEMBL29951400 | 0.74 | — | — |
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-0301112-B1 | METHOD FOR PRODUCING A 5-BROMO-1-PENTANAL COMPOUND OR AN ACETAL DERIVATIVE THEREOF | Kawaken Fine Chemicals Co., Ltd. (JP) | 1992-05-06 | — | — | EP | disclosed |
| EP-0301112-A1 | Method for producing a 5-bromo-1-pentanal compound or an acetal derivative thereof | Kawaken Fine Chemicals Co., Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |
| US-4760195-A | Free-radical addition reaction | KAWAKEN FINE CHEMICALS CO., LTD. (JP) | 1988-07-26 | — | — | US | disclosed |