⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4790355 | 1.00 | — | — | |
| SCHEMBL4790353 | 1.00 | — | — | |
| SCHEMBL22312094 | 0.71 | — | — | |
| SCHEMBL5477804 | 0.71 | — | — | |
| SCHEMBL9918356 | 0.69 | — | — | |
| SCHEMBL10035110 | 0.69 | — | — | |
| SCHEMBL25143352 | 0.67 | — | — | |
| SCHEMBL584510 | 0.67 | — | — | |
| SCHEMBL19779370 | 0.65 | — | — | |
| Thiocyanic Acid SCHEMBL5827436 | 0.64 | CA1 (0.43) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015192119-A1 | PYRIMIDINE COMPOUNDS AND METHODS USING THE SAME | YUMA THERAPEUTICS, INC. (US) | 2015-12-17 | — | — | WO | disclosed |
| US-8092771-B2 | Nitrogen-containing carbon material and process for producing the same | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2012-01-10 | — | — | US | disclosed |
| US-8034976-B2 | Nitrogen-containing carbon material and method of producing the same | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2011-10-11 | — | — | US | disclosed |
| US-20100159346-A1 | ELECTRODE, AND LITHIUM ION SECONDARY BATTERY, ELECTRIC DOUBLE LAYER CAPACITOR AND FUEL CELL USING THE SAME | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2010-06-24 | — | — | US | disclosed |
| US-20100111806-A1 | NITROGEN-CONTAINING CARBON MATERIAL AND PROCESS FOR PRODUCING THE SAME | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2010-05-06 | — | — | US | disclosed |
| US-20090112020-A1 | Nitrogen-Containing Carbon Material and Method of Producing the Same | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2009-04-30 | — | — | US | disclosed |