⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25640109 | 0.92 | AHR (0.32) | — | |
| SCHEMBL25640105 | 0.92 | CYP1A1 (0.34) | — | |
| SCHEMBL25640159 | 0.91 | ABCG2 (0.34) | — | |
| SCHEMBL25640241 | 0.91 | S1PR5 (0.33) | — | |
| SCHEMBL25640034 | 0.91 | CYP1A1 (0.32) | — | |
| SCHEMBL25640448 | 0.90 | CA12 (0.33) | — | |
| SCHEMBL25640356 | 0.90 | — | — | |
| SCHEMBL25640239 | 0.89 | CA12 (0.33) | — | |
| SCHEMBL25873084 | 0.89 | CA12 (0.31) | — | |
| SCHEMBL25639823 | 0.89 | CA12 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023113334-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2023-06-22 | — | — | WO | disclosed |