⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL529246 | 0.96 | — | — | |
| SCHEMBL12985512 | 0.89 | — | — | |
| SCHEMBL1220128 | 0.71 | — | — | |
| SCHEMBL7804781 | 0.71 | — | — | |
| SCHEMBL2251329 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL2254566 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL4717441 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL518261 | 0.67 | HSD17B10 (0.52) | — | |
| SCHEMBL2638 | 0.67 | — | — | |
| SCHEMBL463775 | 0.67 | HSD17B10 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104203948-A | 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors | VERNALIS R&D LTD | 2014-12-10 | — | — | CN | disclosed |
| CN-104144924-A | NOVEL 4-METHYL-DIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | HOFFMANN LA ROCHE | 2014-11-12 | — | — | CN | disclosed |
| CN-103974953-A | Kinase inhibitors | CHIESI FARMA SPA | 2014-08-06 | — | — | CN | disclosed |
| CN-101528717-B | Thiazole and oxazole-substituted arylamides | HOFFMANN LA ROCHE | 2013-04-24 | — | — | CN | disclosed |
| EP-2038264-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-25 | — | — | EP | disclosed |
| EP-1910384-A1 | IMIDAZO [2,1-B]THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS | Sirtris Pharmaceuticals, Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2008000645-A1 | TETRAZOLE-SUBSTITUTED ARYLAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | disclosed |
| EP-1817294-A1 | 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS | Amgen Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2007019344-A1 | IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2007-02-15 | — | — | WO | disclosed |
| WO-2006019975-A1 | 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS | AMGEN INC. (US) | 2006-02-23 | — | — | WO | disclosed |