⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29136509 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL12653896 | 0.75 | ALDH1A1 (0.47) | — | |
| SCHEMBL4726833 | 0.74 | — | — | |
| SCHEMBL15523417 | 0.74 | — | — | |
| SCHEMBL4726834 | 0.74 | — | — | |
| SCHEMBL6728436 | 0.73 | — | — | |
| SCHEMBL4342966 | 0.73 | — | — | |
| SCHEMBL11157469 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL11162323 | 0.73 | — | — | |
| SCHEMBL1368946 | 0.72 | FFAR3 (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 10 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 |
| EP-2188292-B1 | 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER | GLAXOSMITHKLINE IP DEV LTD (GB) | 2013-05-29 | — | — | EP | disclosed |
| US-7981903-B2 | 2-[2-{phenylamino}-1H-pyrrolo[2,3-D]pyrimidin-4-yl)amino] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer | GLAXOSMITHKLINE LLC (US) | 2011-07-19 | — | — | US | disclosed |
| US-20100204196-A1 | 2-[2--1H-Pyrrolo[2,3-D]Pyrimidin-4-YL)Amino] Benzamide Derivatives As IGF-1R Inhibitors For The Treatment Of Cancer | GLAXOSMITHKLINE LLC | 2010-08-12 | — | — | US | disclosed |
| EP-2188292-A1 | 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER | GlaxoSmithKline LLC (US) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009020990-A1 | 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER | SMITHKLINE BEECHAM CORPORATION (US) | 2009-02-12 | — | — | WO | disclosed |
| WO-2008015516-A1 | FUSED TRICYCLIC HETEROCYCLES FOR THE TREATMENT OF SCHIZOPHRENIA | PFIZER PRODUCTS INC. (US) | 2008-02-07 | — | — | WO | disclosed |