⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7083024 | 0.91 | — | — | |
| SCHEMBL19815967 | 0.88 | GGPS1 (0.50) | — | |
| SCHEMBL7689355 | 0.88 | GGPS1 (0.50) | — | |
| SCHEMBL9957672 | 0.88 | GGPS1 (0.50) | — | |
| SCHEMBL16969864 | 0.88 | GGPS1 (0.50) | — | |
| SCHEMBL16969954 | 0.81 | — | — | |
| SCHEMBL1739747 | 0.80 | — | — | |
| SCHEMBL7925277 | 0.79 | — | — | |
| SCHEMBL5331888 | 0.78 | — | — | |
| SCHEMBL16970286 | 0.77 | FDPS (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411433-A1 | POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME | PPG Industries Ohio, Inc. (US) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010110784-A1 | POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME | PPG INDUSTRIES OHIO, INC. (US) | 2010-09-30 | — | — | WO | disclosed |
| EP-0803553-B1 | Bleed control in ink-jet inks via aqueous phase separation | HEWLETT PACKARD CO (US) | 2000-01-12 | — | — | EP | disclosed |
| EP-0803553-A1 | Bleed control in ink-jet inks via aqueous phase separation | Hewlett-Packard Company (US) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996003467-A1 | INK AND COATING COMPOSITIONS CONTAINING A BLEND OF WATER-DISPERSIBLE POLYESTER AND CARBOXYLIC ACIDS | EASTMAN CHEMICAL COMPANY (US) | 1996-02-08 | — | — | WO | disclosed |