⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11097651 | 1.00 | — | — | |
| SCHEMBL1628446 | 0.71 | — | — | |
| SCHEMBL2486748 | 0.67 | — | — | |
| SCHEMBL9308705 | 0.67 | — | — | |
| SCHEMBL11097654 | 0.66 | — | — | |
| SCHEMBL14955241 | 0.65 | — | — | |
| SCHEMBL1713186 | 0.64 | CA2 (0.31) | — | |
| SCHEMBL2489357 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL649701 | 0.63 | — | — | |
| SCHEMBL4539381 | 0.63 | FAAH (0.41) | — |
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-0024629-B1 | PHOTOIMAGING COMPOSITION COMPRISING A 2,4,5-TRIPHENYLIMIDAZOLYL DIMER AND AT LEAST ONE COMPOUND SELECTED FROM THE GROUP CONSISTING OF A LEUCO DYE AND A POLYMERIZABLE ETHYLENICALLY UNSATURATED MONOMER | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-01-04 | — | — | EP | disclosed |