⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4197073 | 0.83 | CA12 (0.35) | — | |
| SCHEMBL4731409 | 0.82 | — | — | |
| SCHEMBL1069722 | 0.79 | — | — | |
| SCHEMBL29042551 | 0.79 | CYP2C19 (0.34) | — | |
| SCHEMBL8513103 | 0.79 | — | — | |
| SCHEMBL9936427 | 0.78 | CA12 (0.34) | — | |
| SCHEMBL28806409 | 0.78 | — | — | |
| SCHEMBL1083043 | 0.78 | CPB2 (0.31) | — | |
| SCHEMBL9307693 | 0.77 | — | — | |
| SCHEMBL8363352 | 0.77 | — | — |
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-8087767-B2 | Inkjet ink set | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-01-03 | — | — | US | disclosed |
| EP-2001963-A1 | INKJET INK SET | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007103542-A1 | INKJET INK SET | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-09-13 | — | — | WO | disclosed |
| US-20070211126-A1 | Inkjet ink set | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-09-13 | — | — | US | disclosed |