⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL97067 | 1.00 | — | — | |
| SCHEMBL8422166 | 1.00 | — | — | |
| SCHEMBL2822675 | 0.80 | — | — | |
| SCHEMBL8533026 | 0.80 | KMT2A (0.67) | — | |
| SCHEMBL14602763 | 0.80 | KMT2A (0.52) | — | |
| SCHEMBL103387 | 0.80 | — | — | |
| SCHEMBL25082803 | 0.79 | — | — | |
| SCHEMBL2616410 | 0.79 | KMT2A (0.41) | — | |
| SCHEMBL18360428 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL11522655 | 0.79 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016091845-A1 | NOVEL ARYL-CYANOGUANIDINE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-06-16 | — | — | WO | disclosed |
| US-9321716-B1 | Compositions and methods for the treatment of metabolic syndrome | CELLIX BIO PRIVATE LIMITED (IN) | 2016-04-26 | — | — | US | disclosed |
| US-9321716-B1 | Compositions and methods for the treatment of metabolic syndrome | CELLIX BIO PRIVATE LIMITED (IN) | 2016-04-26 | — | — | US | disclosed |
| US-20150352108-A1 | AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON | ALZHEIMER'S INSTITUTE OF AMERICA (US) | 2015-12-10 | — | — | US | disclosed |
| US-9073954-B2 | 5-substituted benzimidazolium compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-07-07 | — | — | US | disclosed |
| WO-2015007516-A1 | NOVEL 5-SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-22 | — | — | WO | disclosed |
| US-8003664-B2 | Indazole-carboxamide compounds | THERAVANCE, INC. (US) | 2011-08-23 | — | — | US | disclosed |
| WO-2011046970-A1 | AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON | MYREXIS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |
| US-20100292223-A1 | INDAZOLE-CARBOXAMIDE COMPOUNDS | THERAVANCE, INC. (US) | 2010-11-18 | — | — | US | disclosed |
| US-20090233878-A1 | NOVEL ADENOSINE A3 RECEPTOR AGONISTS | CREDIT SUISSE AG | 2009-09-17 | — | — | US | disclosed |
| US-7419989-B2 | Indazole-carboxamide compounds | THERAVANCE, INC. (US) | 2008-09-02 | — | — | US | disclosed |
| US-20060135764-A1 | Indazole-carboxamide compounds | THERAVANCE, INC. | 2006-06-22 | — | — | US | disclosed |