⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11152788 | 0.79 | MEN1 (0.34) | — | |
| SCHEMBL15957917 | 0.72 | CHRM2 (0.31) | — | |
| SCHEMBL11154366 | 0.71 | MEN1 (0.35) | — | |
| SCHEMBL14261181 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL666966 | 0.70 | CYP19A1 (0.35) | — | |
| SCHEMBL663433 | 0.70 | — | — | |
| SCHEMBL6742601 | 0.69 | SIRT2 (0.39) | — | |
| SCHEMBL15657556 | 0.69 | KDM4E (0.36) | — | |
| SCHEMBL267389 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL11950895 | 0.67 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7291888-A | — | — | None | — | — | JP | disclosed |
| JP-H07291888-A | 2,2-DISUBSTITUTED-1,3-CYCLOHEXANEDIONE DERIVATIVE AND ITS PRODUCTION | KURARAY CO LTD | 1995-11-07 | — | — | JP | disclosed |