⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24233329 | 0.79 | — | — | |
| SCHEMBL20853505 | 0.77 | — | — | |
| SCHEMBL1454802 | 0.74 | — | — | |
| SCHEMBL10296060 | 0.72 | — | — | |
| SCHEMBL7670236 | 0.72 | — | — | |
| SCHEMBL6770149 | 0.72 | — | — | |
| SCHEMBL15372463 | 0.72 | — | — | |
| SCHEMBL13891637 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL19167976 | 0.69 | — | — | |
| SCHEMBL896529 | 0.68 | SIGMAR1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110088087-B | Tetrahydropyridine derivatives and their use as antibacterial agents | 东亚ST株式会社 | 2022-08-09 | — | — | CN | disclosed |
| CN-113166101-A | Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders | 诺华股份有限公司 | 2021-07-23 | — | — | CN | disclosed |
| US-8003662-B2 | Heterobicyclic thiophene compounds and methods of use | ARRAY BIOPHARMA, INC. (US) | 2011-08-23 | — | — | US | disclosed |