⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8700696 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL29599864 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL9328014 | 0.70 | FTO (0.33) | — | |
| SCHEMBL8704314 | 0.70 | AKR1B1 (0.36) | — | |
| SCHEMBL7028905 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL4469300 | 0.66 | HNF4A (0.36) | — | |
| SCHEMBL675015 | 0.65 | ACHE (0.39) | — | |
| SCHEMBL29377366 | 0.65 | ACHE (0.39) | — | |
| SCHEMBL6130778 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL5053931 | 0.64 | KDM4E (0.33) | — |
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-1998007716-A2 | HETEROAROTINOIDS-ANTICANCER AGENTS WITH RECEPTOR SPECIFICITY AND TGASE ACTIVITY | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 1998-02-26 | — | — | WO | disclosed |