⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4269753 | 0.80 | — | — | |
| SCHEMBL4274386 | 0.77 | — | — | |
| SCHEMBL4275645 | 0.73 | — | — | |
| SCHEMBL853282 | 0.66 | — | — | |
| SCHEMBL8883096 | 0.64 | — | — | |
| SCHEMBL9063861 | 0.64 | — | — | |
| SCHEMBL4120672 | 0.60 | — | — | |
| SCHEMBL17385970 | 0.59 | CYP1A2 (0.38) | — | |
| SCHEMBL241623 | 0.52 | CYP2D6 (0.39) | — | |
| SCHEMBL9063884 | 0.51 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6764807-B2 | LITHOGRAPHY | KODAK POLYCHROME GRAPHICS LLC | 2004-07-20 | — | — | US | disclosed |
| US-20020086235-A1 | Lithography | EASTMAN KODAK COMPANY | 2002-07-04 | — | — | US | disclosed |
| US-6399271-B1 | HYDROXY CONTAINING COMPOUND WITH AFFINITY FOR INK, AND TITANIUM OR SILICON CONTAINING COMPOUND WITH DIFFERENT AFFINITY FOR INK | KODAK POLYCHROME GRAPHICS LLC | 2002-06-04 | — | — | US | disclosed |