⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24335867 | 0.78 | PKM (0.30) | — | |
| SCHEMBL21946652 | 0.65 | — | — | |
| SCHEMBL8242236 | 0.63 | — | — | |
| SCHEMBL10001843 | 0.63 | LMNA (0.37) | — | |
| SCHEMBL16252942 | 0.63 | LMNA (0.37) | — | |
| SCHEMBL10074140 | 0.60 | LMNA (0.32) | — | |
| SCHEMBL21325293 | 0.60 | — | — | |
| SCHEMBL12528611 | 0.60 | PIK3CD (0.33) | — | |
| SCHEMBL4227055 | 0.60 | — | — | |
| SCHEMBL24847400 | 0.60 | PER2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11028078-B2 | Itraconazole analogs and use thereof | THE JOHNS HOPKINS UNIVERSITY (US) | 2021-06-08 | — | — | US | disclosed |
| US-20190040046-A1 | ITRACONAZOLE ANALOGS AND USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-02-07 | — | — | US | disclosed |