⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28967225 | 0.75 | ALOX15 (0.39) | — | |
| SCHEMBL29059455 | 0.75 | CTSS (0.33) | — | |
| SCHEMBL28986536 | 0.73 | — | — | |
| SCHEMBL28772124 | 0.73 | MAPT (0.31) | — | |
| SCHEMBL29130087 | 0.73 | CYP2D6 (0.32) | — | |
| SCHEMBL29059253 | 0.73 | CYP2D6 (0.32) | — | |
| SCHEMBL15562350 | 0.73 | CYP2D6 (0.32) | — | |
| SCHEMBL12698393 | 0.72 | POLB (0.36) | — | |
| SCHEMBL2490315 | 0.71 | — | — | |
| SCHEMBL28591507 | 0.70 | — | — |
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-108699032-B | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-113603675-A | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2021-11-05 | — | — | CN | disclosed |