⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5764081 | 1.00 | — | — | |
| SCHEMBL20408899 | 0.68 | — | — | |
| SCHEMBL740559 | 0.67 | — | — | |
| SCHEMBL18819101 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL19018827 | 0.64 | — | — | |
| SCHEMBL3336999 | 0.64 | — | — | |
| SCHEMBL20095228 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL250419 | 0.64 | — | — | |
| SCHEMBL11324 | 0.64 | — | — | |
| SCHEMBL3337002 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3919494-B1 | JANUS KINASE (JAK) FAMILY INHIBITOR, PREPARATION OF SAME, AND APPLICATIONS THEREOF | JIANGSU VCARE PHARMATECH CO LTD (CN) | 2023-05-24 | — | — | EP | disclosed |
| US-20060252800-A1 | Anti-leishmania agent | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2006-11-09 | — | — | US | disclosed |
| EP-1623981-A1 | ANTI-LEISHMANIA AGENT | Japan Science and Technology Corporation (JP) | 2006-02-08 | — | — | EP | disclosed |