⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25454425 | 0.84 | KDM4E (0.41) | — | |
| SCHEMBL23871430 | 0.83 | CYP3A4 (0.35) | — | |
| SCHEMBL21082634 | 0.81 | AKT1 (0.34) | — | |
| SCHEMBL23481245 | 0.81 | — | — | |
| SCHEMBL24808072 | 0.76 | ESR1 (0.31) | — | |
| SCHEMBL20198299 | 0.76 | PDK2 (0.33) | — | |
| SCHEMBL20343295 | 0.75 | CYP3A4 (0.31) | — | |
| SCHEMBL12530984 | 0.75 | AKT1 (0.31) | — | |
| SCHEMBL17887361 | 0.75 | AKT1 (0.35) | — | |
| SCHEMBL20393788 | 0.75 | GPR52 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3556750-B1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING SAME | LG CHEMICAL LTD (KR) | 2021-02-24 | — | — | EP | disclosed |
| EP-2165830-B1 | Lithographic printing plate precursor and printing method using the same | FUJIFILM CORP (JP) | 2011-03-16 | — | — | EP | disclosed |
| WO-2009142604-A1 | POLYMER ENCAPSULATED PARTICLES AS SURFACE ENHANCED RAMAN SCATTERING PROBES | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2009-11-26 | — | — | WO | disclosed |