⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3809141 | 1.00 | — | — | |
| SCHEMBL29224910 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1371246 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1371243 | 0.97 | — | — | |
| SCHEMBL28900846 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL24756672 | 0.75 | — | — | |
| SCHEMBL13387854 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL7554263 | 0.75 | — | — | |
| SCHEMBL26114134 | 0.75 | — | — | |
| SCHEMBL92927 | 0.73 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8399462-B2 | 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain | ROCHE PALO ALTO LLC (US) | 2013-03-19 | — | — | US | claimed |
| EP-2102194-A1 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | claimed |
| WO-2008068171-A9 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | HOFFMANN LA ROCHE (CH) | 2009-07-16 | — | — | WO | claimed |
| US-20080146565-A1 | JNK modulators | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | claimed |
| WO-2008068171-A1 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-12 | — | — | WO | claimed |
| CN-117813293-A | Urea derivatives useful for the treatment of cancer | 蝎子疗法股份有限公司 | 2024-04-02 | — | — | CN | disclosed |
| WO-2023141595-A2 | FUNCTIONALIZED ALKYLAMINES | TERRAN BIOSCIENCES, INC. (US) | 2023-07-27 | — | — | WO | disclosed |
| CN-116102449-A | Phenyl derivatives as cannabinoid receptor 2 agonists | 豪夫迈·罗氏有限公司 | 2023-05-12 | — | — | CN | disclosed |
| EP-3763726-A1 | COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF | 3B Pharmaceuticals GmbH (DE) | 2021-01-13 | — | — | EP | disclosed |
| US-10201525-B2 | Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists | ROCHE PALO ALTO LLC (US) | 2019-02-12 | — | — | US | disclosed |
| US-20170143672-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS | ROCHE PALO ALTO LLC (US) | 2017-05-25 | — | — | US | disclosed |
| US-9593128-B2 | Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2017-03-14 | — | — | US | disclosed |
| US-8846945-B2 | Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists | DILLON MICHAEL PATRICK (US) | 2014-09-30 | — | — | US | disclosed |
| CN-104024258-A | Pyrrolopyrazine kinase inhibitors | HOFFMANN LA ROCHE | 2014-09-03 | — | — | CN | disclosed |
| EP-2592070-A2 | Tetrazole-substituted arylamides | F. Hoffmann-La Roche AG (CH) | 2013-05-15 | — | — | EP | disclosed |
| US-20120214789-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS | DILLON MICHAEL PATRICK (US) | 2012-08-23 | — | — | US | disclosed |
| US-8193368-B2 | Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists | ROCHE PALO ALTO LLC (US) | 2012-06-05 | — | — | US | disclosed |
| US-20090326220-A1 | Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists | DILLON MICHAEL PATRICK | 2009-12-31 | — | — | US | disclosed |
| US-7595405-B2 | Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists | ROCHE PALO ALTO LLC (US) | 2009-09-29 | — | — | US | disclosed |
| US-20080004442-A1 | Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists | ROCHE PALO ALTO LLC | 2008-01-03 | — | — | US | disclosed |