⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8043527 | 0.63 | — | — | |
| SCHEMBL1933803 | 0.63 | — | — | |
| SCHEMBL4762291 | 0.63 | — | — | |
| SCHEMBL499073 | 0.61 | — | — | |
| SCHEMBL11477848 | 0.60 | — | — | |
| SCHEMBL11477853 | 0.60 | — | — | |
| SCHEMBL2125651 | 0.58 | — | — | |
| SCHEMBL3364460 | 0.58 | — | — | |
| SCHEMBL2125649 | 0.58 | — | — | |
| SCHEMBL3372716 | 0.54 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315983-A | 2,6-Di-tert-butyl-4-substituted thiopyrylium salt, process for production of same, and a photoconductive composition containing same | FUJI PHOTO FILM CO., LTD. (JP) | 1982-02-16 | — | — | US | disclosed |
| US-3938994-A | Pyrylium dyes for electrophotographic composition and element | EASTMAN KODAK COMPANY (US) | 1976-02-17 | — | — | US | disclosed |