⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2105420 | 0.84 | TDP1 (0.38) | — | |
| SCHEMBL5066855 | 0.83 | — | — | |
| SCHEMBL28715975 | 0.76 | — | — | |
| SCHEMBL2808342 | 0.74 | TDP1 (0.30) | — | |
| SCHEMBL18239489 | 0.73 | TBXAS1 (0.36) | — | |
| SCHEMBL7564136 | 0.71 | ALDH1A1 (0.53) | — | |
| SCHEMBL11500145 | 0.71 | TDP1 (0.31) | — | |
| SCHEMBL25822622 | 0.70 | LGALS3 (0.32) | — | |
| SCHEMBL1602822 | 0.70 | — | — | |
| SCHEMBL2801880 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110731127-B | Sealing agent for organic EL display element | 积水化学工业株式会社 | 2022-08-19 | — | — | CN | disclosed |
| CN-110731127-A | Sealing agent for organic EL display element | 积水化学工业株式会社 | 2020-01-24 | — | — | CN | disclosed |
| JP-2007191433-A | TRISOXETANE ETHER COMPOUND, METHOD FOR PRODUCING THE SAME AND OPTICAL WAVEGUIDE USING THE SAME | NITTO DENKO CORP | 2007-08-02 | — | — | JP | disclosed |
| JP-2007191432-A | BISOXETANE ETHER COMPOUND HAVING FLUORENE STRUCTURE, METHOD FOR PRODUCING THE SAME AND OPTICAL WAVEGUIDE USING THE SAME | NITTO DENKO CORP | 2007-08-02 | — | — | JP | disclosed |