⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1260758 | 0.50 | — | — | |
| SCHEMBL6229785 | 0.45 | — | — | |
| SCHEMBL162811 | 0.45 | — | — | |
| SCHEMBL324469 | 0.45 | — | — | |
| SCHEMBL11807704 | 0.45 | — | — | |
| SCHEMBL1317224 | 0.45 | — | — | |
| SCHEMBL8797463 | 0.42 | — | — | |
| SCHEMBL31619082 | 0.42 | — | — | |
| SCHEMBL2530452 | 0.42 | — | — | |
| SCHEMBL11020374 | 0.42 | — | — |
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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3475283-B1 | NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2021-08-11 | — | — | EP | claimed |
| CN-109311895-B | Novel [1,2,3] triazolo [4,5-d ] pyrimidine derivatives | 豪夫迈·罗氏有限公司 | 2021-06-18 | — | — | CN | claimed |
| US-10457686-B2 | [1,2,3]triazolo[4,5-D]pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2019-10-29 | — | — | US | claimed |
| US-20190127386-A1 | NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2019-05-02 | — | — | US | claimed |
| EP-3475283-A1 | NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES | H. Hoffnabb-La Roche Ag (CH) | 2019-05-01 | — | — | EP | claimed |
| WO-2017220544-A1 | NOVEL[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2017-12-28 | — | — | WO | claimed |
| US-6841560-B2 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-01-11 | — | — | US | claimed |
| US-20040209912-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2004-10-21 | — | — | US | claimed |
| EP-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | claimed |
| US-20030144320-A1 | For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders | SMITHKLINE BEECHAM P.L.C. | 2003-07-31 | — | — | US | claimed |
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | claimed |
| EP-0971897-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2000-01-19 | — | — | EP | claimed |
| EP-0968190-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-01-05 | — | — | EP | claimed |
| WO-1999052857-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM PLC (GB) | 1999-10-21 | — | — | WO | claimed |
| EP-0944598-A2 | SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BEECHAM PLC (GB) | 1999-09-29 | — | — | EP | claimed |
| WO-1999031068-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-24 | — | — | WO | claimed |
| WO-1999021836-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-05-06 | — | — | WO | claimed |
| WO-1998041507-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | WO | claimed |
| WO-1998041508-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | WO | claimed |
| WO-1998024764-A2 | SUBSTITUTED BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-06-11 | — | — | WO | claimed |