⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14461265 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL19285906 | 0.89 | ALDH1A1 (0.35) | — | |
| SCHEMBL22814367 | 0.83 | — | — | |
| SCHEMBL257176 | 0.81 | ACMSD (0.37) | — | |
| SCHEMBL13007052 | 0.81 | ACMSD (0.37) | — | |
| SCHEMBL25585744 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL15762790 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL22333863 | 0.80 | — | — | |
| SCHEMBL8406128 | 0.80 | GPR84 (0.37) | — | |
| SCHEMBL12928339 | 0.80 | GPR84 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2576723-B1 | COMPOSITIONS COMPRISING QUANTUM DOTS | MERCK PATENT GMBH (DE) | 2017-09-20 | — | — | EP | disclosed |
| EP-3147961-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | Novaled GmbH (DE) | 2017-03-29 | — | — | EP | disclosed |