⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23691240 | 1.00 | — | — | |
| Acetic Acid SCHEMBL29051880 | 0.93 | CRBN (0.46) | — | |
| Acetic Acid SCHEMBL31207226 | 0.89 | CRBN (0.42) | — | |
| SCHEMBL169096 | 0.85 | SLC15A1 (0.58) | — | |
| SCHEMBL9428999 | 0.80 | — | — | |
| SCHEMBL28728166 | 0.79 | DPP4 (0.48) | — | |
| SCHEMBL28728167 | 0.79 | DPP4 (0.48) | — | |
| SCHEMBL9115106 | 0.78 | — | — | |
| SCHEMBL20717738 | 0.78 | — | — | |
| SCHEMBL15385288 | 0.78 | — | — |
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-117178341-A | Method for analyzing a sample comprising a high mass-to-charge ratio cut-off value | DH科技发展私人贸易有限公司 | 2023-12-05 | — | — | CN | disclosed |
| CN-110511141-B | Synthesis method of valproyl urea | 上海凌凯医药科技有限公司 | 2022-04-29 | — | — | CN | disclosed |