⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL237734 | 0.78 | CYP1A2 (0.37) | — | |
| SCHEMBL4842144 | 0.75 | CHRM5 (0.38) | — | |
| SCHEMBL4827904 | 0.74 | — | — | |
| SCHEMBL4836945 | 0.71 | CHRM5 (0.33) | — | |
| SCHEMBL361004 | 0.71 | — | — | |
| SCHEMBL3483479 | 0.71 | — | — | |
| SCHEMBL91247 | 0.71 | — | — | |
| SCHEMBL20491422 | 0.71 | CTSK (0.39) | — | |
| SCHEMBL542385 | 0.71 | — | — | |
| SCHEMBL11396333 | 0.71 | CHRM5 (0.35) | — |
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-20090098410-A1 | Trimethine Dimer Compound and Optical Recording Medium Using the Same | MITSUI CHEMICALS, INC. (JP) | 2009-04-16 | — | — | US | disclosed |
| EP-1900779-A1 | TRIMETHINE DIMER COMPOUND AND OPTICAL RECORDING MEDIUM USING SAME | Mitsui Chemicals, Inc. (JP) | 2008-03-19 | — | — | EP | disclosed |