⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3630845 | 0.79 | — | — | |
| SCHEMBL16372407 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL13911364 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL6844884 | 0.70 | OPRD1 (0.46) | — | |
| SCHEMBL30349713 | 0.70 | — | — | |
| SCHEMBL6032907 | 0.70 | ABAT (0.32) | — | |
| SCHEMBL10862568 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL27261830 | 0.69 | MAPT (0.33) | — | |
| SCHEMBL7932951 | 0.68 | PYGM (0.35) | — | |
| SCHEMBL19548926 | 0.68 | PSEN1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113968786-A | Process for preparing two methyl-substituted 2-oxo-3-cyclopentene-1-carboxylate compounds and dicarboxylate compounds for preparation | 信越化学工业株式会社 | 2022-01-25 | — | — | CN | disclosed |
| CN-113968786-A | Process for preparing two methyl-substituted 2-oxo-3-cyclopentene-1-carboxylate compounds and dicarboxylate compounds for preparation | 信越化学工业株式会社 | 2022-01-25 | — | — | CN | disclosed |