⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25751934 | 0.89 | GPR3 (0.35) | — | |
| SCHEMBL24356277 | 0.77 | ATM (0.41) | — | |
| SCHEMBL18086139 | 0.76 | GPR3 (0.33) | — | |
| SCHEMBL24356285 | 0.75 | ATM (0.45) | — | |
| SCHEMBL20412875 | 0.75 | ELANE (0.31) | — | |
| SCHEMBL26059725 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL20988567 | 0.73 | — | — | |
| SCHEMBL24676259 | 0.73 | GPR3 (0.39) | — | |
| SCHEMBL26146591 | 0.71 | KDM4E (0.38) | — | |
| SCHEMBL20988421 | 0.71 | — | — |
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-20170244049-A1 | ORGANIC LIGHT-EMITTING DIODE MATERIALS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-08-24 | — | — | US | disclosed |