⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3411862 | 0.78 | CYP2B6 (0.35) | — | |
| SCHEMBL27132762 | 0.76 | CYP2B6 (0.34) | — | |
| SCHEMBL5399745 | 0.75 | — | — | |
| SCHEMBL6241228 | 0.74 | PPARG (0.31) | — | |
| SCHEMBL27636033 | 0.72 | KDM4E (0.35) | — | |
| SCHEMBL16670350 | 0.71 | — | — | |
| SCHEMBL6228290 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL8520815 | 0.64 | MEN1 (0.31) | — | |
| SCHEMBL3422223 | 0.64 | CA2 (0.41) | — | |
| SCHEMBL27681592 | 0.64 | — | — |
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-1233008-B1 | Cement admixture and cement composition | DENKI KAGAKU KOGYO KK (JP) | 2005-03-30 | — | — | EP | disclosed |
| EP-1233008-A1 | Cement admixture and cement composition | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2002-08-21 | — | — | EP | disclosed |