⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3537096 | 1.00 | — | — | |
| SCHEMBL20028834 | 0.88 | SLC6A1 (0.38) | — | |
| SCHEMBL1515463 | 0.88 | SLC6A1 (0.38) | — | |
| SCHEMBL255187 | 0.88 | EED (0.42) | — | |
| SCHEMBL792689 | 0.88 | EED (0.42) | — | |
| SCHEMBL24792369 | 0.88 | SLC6A1 (0.38) | — | |
| SCHEMBL2917543 | 0.86 | CYP2D6 (0.31) | — | |
| SCHEMBL791469 | 0.86 | SLC6A4 (0.40) | — | |
| Hydrochloric Acid SCHEMBL772083 | 0.86 | EED (0.41) | — | |
| Hydrochloric Acid SCHEMBL772084 | 0.86 | EED (0.41) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112867715-B | 5-azaindazole derivatives as adenosine receptor antagonists | 默克专利股份公司 | 2024-03-05 | — | — | CN | disclosed |
| EP-3870582-B1 | 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2023-07-19 | — | — | EP | disclosed |
| CN-105037382-B | Bergenin analog derivative and its preparation method and application | 中国药科大学 | 2017-08-25 | — | — | CN | disclosed |
| CN-105037382-A | Bergenin derivatives, and preparation method and application thereof | UNIV CHINA PHARMA | 2015-11-11 | — | — | CN | disclosed |
| US-8518938-B2 | c-MET protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-27 | — | — | US | disclosed |
| US-20120165333-A1 | C-MET PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-28 | — | — | US | disclosed |
| US-7649001-B2 | Fused benzene derivative and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-19 | — | — | US | disclosed |
| US-20090042857-A1 | Novel Pharmaceutical | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-02-12 | — | — | US | disclosed |