⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL267194 | 0.73 | — | — | |
| SCHEMBL7753021 | 0.73 | — | — | |
| SCHEMBL9865498 | 0.71 | — | — | |
| SCHEMBL7774777 | 0.71 | — | — | |
| SCHEMBL1702266 | 0.71 | — | — | |
| SCHEMBL524448 | 0.71 | — | — | |
| SCHEMBL9865504 | 0.71 | — | — | |
| SCHEMBL11780986 | 0.71 | — | — | |
| SCHEMBL1123161 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL66582 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0085031-B1 | METHOD FOR THE PREPARATION OF SYMMETRICAL MONOACETALS OF AROMATIC 1,2-DIKETONES STARTING FROM THE CORRESPONDING ALPHAHYDROXYKETONES | FRATELLI LAMBERTI S.p.A. (IT) | 1986-06-25 | — | — | EP | disclosed |
| EP-0085031-A2 | Method for the preparation of symmetrical monoacetals of aromatic 1,2-diketones starting from the corresponding alphahydroxyketones | FRATELLI LAMBERTI S.p.A. (IT) | 1983-08-03 | — | — | EP | disclosed |