⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11777433 | 0.89 | HPGD (0.39) | — | |
| SCHEMBL11730302 | 0.87 | EPHX1 (0.48) | — | |
| SCHEMBL11741223 | 0.87 | HPGD (0.35) | — | |
| SCHEMBL27811789 | 0.87 | EPHX1 (0.48) | — | |
| SCHEMBL10598521 | 0.80 | — | — | |
| SCHEMBL11671529 | 0.80 | — | — | |
| SCHEMBL2397958 | 0.80 | — | — | |
| SCHEMBL10597472 | 0.80 | — | — | |
| SCHEMBL13398843 | 0.80 | — | — | |
| SCHEMBL8948314 | 0.80 | EPHX1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114686122-A | Sealing agent for organic EL element, sealing film, organic EL element, and method for producing organic EL element | JSR株式会社 | 2022-07-01 | — | — | CN | disclosed |
| CN-104423170-A | Photosensitive polysiloxane composition, protective film and assembly with protective film | CHI MEI CORP | 2015-03-18 | — | — | CN | disclosed |