⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19890619 | 0.82 | NPC1 (0.39) | — | |
| SCHEMBL21176619 | 0.82 | NPC1 (0.39) | — | |
| Acrylamide SCHEMBL11315045 | 0.80 | ALDH1A1 (0.41) | — | |
| Acrylic Acid SCHEMBL8610938 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL4412734 | 0.76 | CSNK1A1 (0.36) | — | |
| SCHEMBL36522 | 0.75 | KDM4E (0.43) | — | |
| SCHEMBL6343787 | 0.75 | KDM4E (0.43) | — | |
| SCHEMBL17844726 | 0.75 | TLK2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL31210282 | 0.74 | KDM4E (0.42) | — | |
| Acrylic Acid SCHEMBL28274595 | 0.74 | LMNA (0.39) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9676757-B2 | Heterocyclic compounds as NaV channel inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2017-06-13 | — | — | US | claimed |
| US-20040038973-A1 | Treating osteoarthritis or rheumatoid arthritis | NAHRA JOE (US) | 2004-02-26 | — | — | US | claimed |
| WO-2004014365-A1 | PHTHALIMIDE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | claimed |
| US-10377745-B2 | Heterocyclic compounds as NaV channel inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2019-08-13 | — | — | US | disclosed |
| US-10201525-B2 | Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists | ROCHE PALO ALTO LLC (US) | 2019-02-12 | — | — | US | disclosed |
| US-20170233377-A1 | HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-08-17 | — | — | US | disclosed |
| US-9676757-B2 | Heterocyclic compounds as NaV channel inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2017-06-13 | — | — | 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-20150266862-A1 | HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2015-09-24 | — | — | US | disclosed |
| US-20150191487-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS | GENENTECH, INC. (US) | 2015-07-09 | — | — | US | disclosed |
| US-8846945-B2 | Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists | DILLON MICHAEL PATRICK (US) | 2014-09-30 | — | — | US | 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 |
| EP-2051983-A1 | NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER | 4SC AG (DE) | 2009-04-29 | — | — | EP | disclosed |
| WO-2008020024-A1 | NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER | 4SC AG (DE) | 2008-02-21 | — | — | WO | disclosed |
| US-20040038973-A1 | Treating osteoarthritis or rheumatoid arthritis | NAHRA JOE (US) | 2004-02-26 | — | — | US | disclosed |
| WO-2004014365-A1 | PHTHALIMIDE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |