⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18805357 | 0.51 | — | — | |
| SCHEMBL8842515 | 0.46 | XPO1 (0.38) | — | |
| SCHEMBL14169131 | 0.46 | GSK3A (0.33) | — | |
| SCHEMBL12948673 | 0.45 | — | — | |
| SCHEMBL22594474 | 0.45 | PIK3CD (0.31) | — | |
| SCHEMBL2211178 | 0.42 | — | — | |
| SCHEMBL14868792 | 0.42 | — | — | |
| SCHEMBL409685 | 0.41 | — | — | |
| Dimethylamine SCHEMBL28933326 | 0.40 | GSR (0.32) | — | |
| SCHEMBL2601688 | 0.39 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8119777-B2 | Ink jet dye design | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2012-02-21 | — | — | US | disclosed |
| US-8119777-B2 | Ink jet dye design | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2012-02-21 | — | — | US | disclosed |
| EP-1331252-B1 | Ink jet dye design | HEWLETT PACKARD CO (US) | 2009-04-08 | — | — | EP | disclosed |
| US-20090082564-A1 | INK JET DYE DESIGN | DEARDURFF LARRIE A | 2009-03-26 | — | — | US | disclosed |
| US-20090082564-A1 | INK JET DYE DESIGN | DEARDURFF LARRIE A | 2009-03-26 | — | — | US | disclosed |
| US-7449057-B2 | Ink jet dye design | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2008-11-11 | — | — | US | disclosed |
| US-7449057-B2 | Ink jet dye design | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2008-11-11 | — | — | US | disclosed |
| US-7407541-B2 | Inkjet dye design | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2008-08-05 | — | — | US | disclosed |
| US-7407541-B2 | Inkjet dye design | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2008-08-05 | — | — | US | disclosed |
| US-20080078303-A1 | INK JET DYE DESIGN | DEARDURFF LARRIE A | 2008-04-03 | — | — | US | disclosed |
| US-20080078303-A1 | INK JET DYE DESIGN | DEARDURFF LARRIE A | 2008-04-03 | — | — | US | disclosed |