⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2697704 | 1.00 | — | — | |
| Sulfuric Acid SCHEMBL28852311 | 0.84 | PSMD14 (0.41) | — | |
| SCHEMBL2642832 | 0.78 | — | — | |
| SCHEMBL28319151 | 0.77 | PSMD14 (0.35) | — | |
| SCHEMBL687504 | 0.77 | PSMD14 (0.52) | — | |
| SCHEMBL23207175 | 0.72 | GABRA1 (0.43) | — | |
| SCHEMBL2037302 | 0.72 | EPHX2 (0.43) | — | |
| SCHEMBL260668 | 0.72 | — | — | |
| SCHEMBL1394984 | 0.72 | — | — | |
| SCHEMBL8315484 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110491999-B | Modification method of electron transport layer for organic solar cell | 太原理工大学 | 2022-04-12 | — | — | CN | disclosed |