⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8426122 | 0.82 | NPC1 (0.33) | — | |
| SCHEMBL21616439 | 0.77 | — | — | |
| SCHEMBL19406186 | 0.74 | — | — | |
| SCHEMBL1659876 | 0.70 | HTT (0.37) | — | |
| SCHEMBL473271 | 0.70 | — | — | |
| SCHEMBL11659083 | 0.70 | THRB (0.36) | — | |
| SCHEMBL11224201 | 0.66 | — | — | |
| SCHEMBL8426258 | 0.65 | NPC1 (0.31) | — | |
| SCHEMBL1661434 | 0.64 | CYP19A1 (0.36) | — | |
| SCHEMBL1659881 | 0.62 | TSHR (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0768559-A1 | Polyimide alignment film from 2,2-bis(3,4-dicarboxyphenyl)hexafluoropropane, dianhydride and ortho-substituted aromatic diamines for active matrix liquid crystal displays | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-04-16 | — | — | EP | disclosed |