⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11105098 | 0.83 | ALDH1A1 (0.56) | — | |
| SCHEMBL11105090 | 0.83 | ALDH1A1 (0.56) | — | |
| SCHEMBL14390308 | 0.80 | IAPP (0.39) | — | |
| SCHEMBL19337515 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL16525866 | 0.79 | — | — | |
| SCHEMBL10024502 | 0.78 | — | — | |
| SCHEMBL13524871 | 0.78 | — | — | |
| SCHEMBL182087 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL852156 | 0.72 | — | — | |
| SCHEMBL852140 | 0.72 | — | — |
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-1585791-B1 | HYDROPHILIC, THIOL-REACTIVE CYANINE DYES AND CONJUGATES THEREOF WITH BIOMOLECULES FOR FLUORESCENCE DIAGNOSIS | BAYER SCHERING PHARMA AG (DE) | 2008-09-24 | — | — | EP | disclosed |