⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19268434 | 0.87 | — | — | |
| SCHEMBL19268444 | 0.74 | — | — | |
| SCHEMBL20412800 | 0.66 | — | — | |
| SCHEMBL17265838 | 0.66 | DYRK1A (0.34) | — | |
| SCHEMBL19270280 | 0.65 | KDM4E (0.36) | — | |
| SCHEMBL17265807 | 0.64 | MAPT (0.33) | — | |
| SCHEMBL20418064 | 0.63 | APP (0.32) | — | |
| SCHEMBL13072332 | 0.62 | GAA (0.31) | — | |
| SCHEMBL20418056 | 0.62 | DYRK1A (0.35) | — | |
| SCHEMBL17265839 | 0.60 | DYRK1A (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180212158-A1 | ORGANIC LIGHT-EMITTING DIODE MATERIALS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2018-07-26 | — | — | US | disclosed |