⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9665524 | 0.82 | CA1 (0.45) | — | |
| SCHEMBL13752152 | 0.77 | SIGMAR1 (0.50) | — | |
| SCHEMBL805368 | 0.77 | — | — | |
| SCHEMBL28254607 | 0.77 | — | — | |
| SCHEMBL11608794 | 0.76 | — | — | |
| SCHEMBL607317 | 0.74 | — | — | |
| SCHEMBL3441994 | 0.74 | — | — | |
| SCHEMBL3151454 | 0.74 | ALDH1A1 (0.60) | — | |
| SCHEMBL1050009 | 0.72 | — | — | |
| SCHEMBL4614671 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210300940-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-09-30 | — | — | US | disclosed |
| CN-112513024-A | TLR7/8 antagonists and uses thereof | 默克专利股份公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-104969406-B | Electrolyte solution for electrochemical device and electrochemical device | 富士胶片和光纯药株式会社 | 2018-11-02 | — | — | CN | disclosed |