⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30372117 | 0.97 | KDM4E (0.31) | — | |
| SCHEMBL10973221 | 0.84 | — | — | |
| SCHEMBL1683908 | 0.78 | — | — | |
| SCHEMBL19757233 | 0.78 | — | — | |
| SCHEMBL4041737 | 0.73 | — | — | |
| SCHEMBL934983 | 0.73 | — | — | |
| SCHEMBL3817077 | 0.72 | — | — | |
| SCHEMBL1515038 | 0.72 | — | — | |
| SCHEMBL2777248 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL10971536 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115485279-A | Antibacterial 8-phenylamino-3- (pyrazol-4-yl) imidazo [1,2-a ] pyrazine derivatives | 豪夫迈·罗氏有限公司 | 2022-12-16 | — | — | CN | claimed |
| WO-2009007390-A2 | 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | claimed |
| CN-115485279-A | Antibacterial 8-phenylamino-3- (pyrazol-4-yl) imidazo [1,2-a ] pyrazine derivatives | 豪夫迈·罗氏有限公司 | 2022-12-16 | — | — | CN | disclosed |
| WO-2009007390-A2 | 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |