⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3218445 | 0.77 | CYP3A4 (0.36) | — | |
| SCHEMBL6908764 | 0.75 | GRIN2D (0.31) | — | |
| SCHEMBL5362276 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL3539564 | 0.68 | KDM4E (0.36) | — | |
| SCHEMBL14143885 | 0.68 | HPGD (0.48) | — | |
| SCHEMBL7491378 | 0.67 | GRIN2D (0.33) | — | |
| SCHEMBL3226843 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL7498714 | 0.63 | CYP3A4 (0.39) | — | |
| SCHEMBL6839545 | 0.62 | AHR (0.33) | — | |
| SCHEMBL7464582 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010015037-A1 | THERAPEUTIC METHODS AND COMPOSITIONS | HOWARD FLOREY INSTITUTE (AU) | 2010-02-11 | — | — | WO | disclosed |