⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL29263577 | 0.94 | — | — | |
| SCHEMBL64958 | 0.87 | — | — | |
| SCHEMBL17035901 | 0.87 | — | — | |
| SCHEMBL7602 | 0.87 | — | — | |
| Fluoride SCHEMBL23673680 | 0.80 | — | — | |
| Iodide SCHEMBL1198681 | 0.80 | — | — | |
| Water SCHEMBL8946260 | 0.80 | — | — | |
| Fluoride SCHEMBL21834012 | 0.80 | — | — | |
| SCHEMBL8208266 | 0.80 | — | — | |
| SCHEMBL5351998 | 0.80 | TSHR (0.30) | — |
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-116615428-A | Tricyclic pyridones and pyrimidinones | 医睿世康药业研发公司 | 2023-08-18 | — | — | CN | disclosed |
| CN-116528857-A | MALT-1 modulators | 艾克斯赛安西娅人工智能有限公司 | 2023-08-01 | — | — | CN | disclosed |