⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7202635 | 0.82 | — | — | |
| SCHEMBL4146105 | 0.78 | — | — | |
| SCHEMBL12221453 | 0.72 | — | — | |
| SCHEMBL11426676 | 0.72 | — | — | |
| SCHEMBL6051456 | 0.72 | — | — | |
| SCHEMBL6051450 | 0.72 | — | — | |
| SCHEMBL16278295 | 0.71 | — | — | |
| SCHEMBL4311579 | 0.71 | CYP2C9 (0.33) | — | |
| SCHEMBL14220785 | 0.69 | — | — | |
| SCHEMBL4318926 | 0.68 | MAPK1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3047173-A | — | — | None | — | — | JP | disclosed |
| CN-115666505-B | Cosmetic product | 信越化学工业株式会社 | 2024-10-11 | — | — | CN | disclosed |
| JP-H0347173-A | NEW METHOD FOR PREPARING 1H-1,2,3-TRIAZOLE | YOSHITOMI PHARMACEUT IND LTD | 1991-02-28 | — | — | JP | disclosed |