⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21750684 | 0.75 | — | — | |
| SCHEMBL21750682 | 0.73 | POLB (0.32) | — | |
| SCHEMBL21750675 | 0.69 | MAPT (0.35) | — | |
| SCHEMBL4520263 | 0.66 | BACE1 (0.40) | — | |
| SCHEMBL2062061 | 0.65 | HTR6 (0.32) | — | |
| SCHEMBL4513219 | 0.62 | GABRA1 (0.34) | — | |
| SCHEMBL7150221 | 0.61 | CYP26A1 (0.45) | — | |
| SCHEMBL7190672 | 0.60 | CYP26A1 (0.33) | — | |
| SCHEMBL21750770 | 0.60 | CYP2C19 (0.32) | — | |
| SCHEMBL8729047 | 0.60 | CYP26A1 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11993573-B2 | Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 2024-05-28 | — | — | US | disclosed |
| US-20210163415-A1 | CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 2021-06-03 | — | — | US | disclosed |
| US-10947198-B2 | Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 2021-03-16 | — | — | US | disclosed |
| US-20200062711-A1 | CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY | 2020-02-27 | — | — | US | disclosed |