⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8229897 | 0.77 | CDC25A (0.38) | — | |
| SCHEMBL27461585 | 0.77 | CDC25A (0.38) | — | |
| SCHEMBL7145450 | 0.77 | CDC25A (0.38) | — | |
| SCHEMBL7151331 | 0.73 | CHRM2 (0.33) | — | |
| SCHEMBL12432300 | 0.68 | ESR1 (0.41) | — | |
| SCHEMBL27581778 | 0.68 | CYP19A1 (0.33) | — | |
| SCHEMBL7144061 | 0.66 | CYP19A1 (0.42) | — | |
| SCHEMBL27479352 | 0.65 | CYP19A1 (0.31) | — | |
| SCHEMBL9843552 | 0.62 | — | — | |
| SCHEMBL28484483 | 0.61 | OSBP (0.52) | — |
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-1252791-A | Arylsecochladiene derivatives | HOFFMANN LA ROCHE (CH) | 2000-05-10 | — | — | CN | disclosed |
| CN-1157818-A | 1 alpha, 26-dihydroxy-D-homo-vitamin D3 | HOFFMANN LA ROCHE (CH) | 1997-08-27 | — | — | CN | disclosed |