⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28051130 | 0.72 | SLC2A1 (0.33) | — | |
| SCHEMBL22203157 | 0.68 | NOS3 (0.31) | — | |
| SCHEMBL1141780 | 0.65 | — | — | |
| SCHEMBL10292283 | 0.62 | — | — | |
| SCHEMBL12802013 | 0.61 | — | — | |
| SCHEMBL16572043 | 0.61 | — | — | |
| SCHEMBL14731219 | 0.60 | — | — | |
| SCHEMBL11977450 | 0.59 | — | — | |
| SCHEMBL13185718 | 0.58 | KDM4E (0.33) | — | |
| SCHEMBL789743 | 0.58 | — | — |
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-110256462-A | Spiral shell [indazole-isoxazole] derivative and preparation method of p-fluorophenyl substitution structure containing chromone and application | 绍兴文理学院 | 2019-09-20 | — | — | CN | claimed |
| CN-110156812-A | Spiral shell [indazole-isoxazole] derivative and preparation method of the structure containing chromone and application | 绍兴文理学院 | 2019-08-23 | — | — | CN | claimed |
| CN-110128445-A | Spiral shell [indazole-isoxazole] derivative and preparation method of rubigan substitution structure containing chromone and application | 绍兴文理学院 | 2019-08-16 | — | — | CN | claimed |
| CN-110128446-A | 3,4, 5-trimethoxy phenyl substituted spiro [ indazole-isoxazole ] derivative containing chromone structure, and preparation method and application thereof | 绍兴文理学院 | 2019-08-16 | — | — | CN | disclosed |
| CN-108349947-A | Tetrahydrochysene indazole and its medical usage | S·莱恩 | 2018-07-31 | — | — | CN | disclosed |
| EP-2323993-B1 | 2,6-DIAMINO- PYRIMIDIN- 5-YL-CARBOXAMIDES AS SYK OR JAK KINASES INHIBITORS | PORTOLA PHARM INC (US) | 2015-06-03 | — | — | EP | disclosed |
| EP-2067743-B1 | Process for preparation of surface modified silicon nanoparticles | EVONIK DEGUSSA GMBH (DE) | 2013-07-10 | — | — | EP | disclosed |
| US-20120059012-A1 | 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-03-08 | — | — | US | disclosed |