⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1075162 | 1.00 | — | — | |
| SCHEMBL13309236 | 1.00 | — | — | |
| SCHEMBL14435544 | 1.00 | — | — | |
| SCHEMBL21396628 | 0.87 | — | — | |
| SCHEMBL6357085 | 0.87 | — | — | |
| SCHEMBL13451412 | 0.84 | — | — | |
| SCHEMBL6692240 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL21185140 | 0.84 | — | — | |
| SCHEMBL851839 | 0.80 | — | — | |
| SCHEMBL21787940 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019174598-A1 | SUBSTITUTED (2-AZABICYCLO [3.1.0] HEXAN-2-YL) PYRAZOLO [1, 5-a] PYRIMIDINE AND IMIDAZO [1, 2-b] PYRIDAZINE COMPOUNDS AS TRK KINASES INHIBITORS | FOCHON PHARMACEUTICALS, LTD. (CN) | 2019-09-19 | — | — | WO | disclosed |
| US-20100144760-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-06-10 | — | — | US | disclosed |
| US-20060030718-A1 | Cobalt-based catalysts for the cyclization of alkenes | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION | 2006-02-09 | — | — | US | disclosed |