⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5324376 | 1.00 | — | — | |
| SCHEMBL9673723 | 0.81 | TLR4 (0.35) | — | |
| SCHEMBL11132729 | 0.78 | — | — | |
| SCHEMBL28040157 | 0.77 | — | — | |
| SCHEMBL27272784 | 0.77 | — | — | |
| SCHEMBL11674331 | 0.76 | — | — | |
| SCHEMBL27699874 | 0.75 | — | — | |
| SCHEMBL9307258 | 0.73 | L3MBTL1 (0.59) | — | |
| SCHEMBL1198243 | 0.72 | L3MBTL1 (0.53) | — | |
| SCHEMBL9671586 | 0.71 | DPP4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4054182-A | — | — | None | — | — | JP | disclosed |
| JP-H0454182-A | PRODUCTION OF (3S,4S)-3-((1R)-1-HYDROXYETHYL)-2-AZETIDINONE DERIVATIVE | MERCIAN CORP | 1992-02-21 | — | — | JP | disclosed |
| JP-H00454182-A | — | — | 0001-01-01 | — | — | JP | disclosed |