⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2710930 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL22400743 | 0.77 | — | — | |
| SCHEMBL1419514 | 0.74 | ALOX5 (0.41) | — | |
| SCHEMBL2491229 | 0.74 | ALOX5 (0.41) | — | |
| SCHEMBL329156 | 0.74 | ALOX5 (0.41) | — | |
| SCHEMBL14122091 | 0.74 | ALOX5 (0.41) | — | |
| SCHEMBL1419425 | 0.74 | ALOX5 (0.41) | — | |
| SCHEMBL1419440 | 0.74 | ALOX5 (0.41) | — | |
| SCHEMBL1419676 | 0.74 | ALOX5 (0.41) | — | |
| SCHEMBL2713200 | 0.73 | — | — |
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-2630676-B1 | CONJUGATED POLYMERS AND THEIR USE IN OPTOELECTRONIC DEVICES | RAYNERGY TEK INC (TW) | 2015-03-04 | — | — | EP | disclosed |