⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17879450 | 0.82 | ALOX5 (0.33) | — | |
| SCHEMBL10039002 | 0.80 | — | — | |
| SCHEMBL16475422 | 0.79 | — | — | |
| SCHEMBL24135869 | 0.78 | — | — | |
| SCHEMBL16491704 | 0.78 | ALOX5 (0.35) | — | |
| SCHEMBL20941737 | 0.78 | — | — | |
| SCHEMBL17879521 | 0.77 | ALOX5 (0.38) | — | |
| SCHEMBL16544704 | 0.75 | PDK2 (0.33) | — | |
| SCHEMBL16491732 | 0.75 | ALOX5 (0.34) | — | |
| SCHEMBL19299357 | 0.75 | ALOX5 (0.34) | — |
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-3033405-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2018-05-09 | — | — | EP | disclosed |