⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10692642 | 0.78 | — | — | |
| SCHEMBL31619716 | 0.74 | — | — | |
| SCHEMBL477113 | 0.74 | — | — | |
| SCHEMBL28198669 | 0.74 | — | — | |
| SCHEMBL13180944 | 0.74 | — | — | |
| SCHEMBL24455093 | 0.74 | — | — | |
| SCHEMBL710187 | 0.74 | — | — | |
| SCHEMBL18081266 | 0.74 | — | — | |
| SCHEMBL29910731 | 0.74 | — | — | |
| SCHEMBL3036524 | 0.74 | GAA (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170369492-A1 | 1,3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES AND ANALOGUES USEFUL IN THE TREATMENT OR PREVENTION OF DIABETES MELLITUS, OBESITY, AND INFLAMMATORY BOWEL DISEASE | TAKEDA PHARMACEUTICALS CO (JP) | 2017-12-28 | — | — | US | disclosed |
| US-8426441-B2 | Inhibitors of bruton's tyrosine kinase | ROCHE PALO ALTO LLC (US) | 2013-04-23 | — | — | US | disclosed |
| US-8426441-B2 | Inhibitors of bruton's tyrosine kinase | ROCHE PALO ALTO LLC (US) | 2013-04-23 | — | — | US | disclosed |
| US-8426441-B2 | Inhibitors of bruton's tyrosine kinase | ROCHE PALO ALTO LLC (US) | 2013-04-23 | — | — | US | disclosed |
| CN-101952283-B | Imidazo [1,2-a ] pyridine and imidazo [1,2-b ] pyridazine derivatives | HOFFMANN LA ROCHE | 2013-04-17 | — | — | CN | disclosed |
| EP-2229390-A1 | NOVEL IMIDAZOÝ1,2-A¨PYRIDINE AND IMIDAZOÝ1,2-B¨PYRIDAZINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-22 | — | — | EP | disclosed |
| US-20090186898-A1 | Inhibitors of bruton's tyrosine kinase | ROCHE PALO ALTO LLC | 2009-07-23 | — | — | US | disclosed |
| US-20090186898-A1 | Inhibitors of bruton's tyrosine kinase | ROCHE PALO ALTO LLC | 2009-07-23 | — | — | US | disclosed |
| US-20090186898-A1 | Inhibitors of bruton's tyrosine kinase | ROCHE PALO ALTO LLC | 2009-07-23 | — | — | US | disclosed |
| WO-2009077334-A1 | NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-25 | — | — | WO | disclosed |