⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2698337 | 0.83 | SLC6A2 (0.30) | — | |
| SCHEMBL8791108 | 0.81 | — | — | |
| SCHEMBL2696383 | 0.79 | — | — | |
| SCHEMBL8133495 | 0.77 | — | — | |
| SCHEMBL3952606 | 0.77 | — | — | |
| SCHEMBL9214288 | 0.77 | — | — | |
| SCHEMBL136235 | 0.77 | GABRA1 (0.35) | — | |
| SCHEMBL8791233 | 0.76 | SLC6A2 (0.39) | — | |
| SCHEMBL3656632 | 0.75 | — | — | |
| SCHEMBL1051818 | 0.74 | PTGS1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6602335-B2 | For dispersing a pigment in an aqueous solution; eliminating the need for a dispersant; ink jets | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. | 2003-08-05 | — | — | US | claimed |
| US-20020195022-A1 | Pigment solubilization via treatment with strong base and substitution | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. | 2002-12-26 | — | — | US | claimed |
| EP-2614053-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012033225-A1 | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-03-15 | — | — | WO | disclosed |