⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6787211 | 0.79 | — | — | |
| SCHEMBL6898006 | 0.75 | THRA (0.40) | — | |
| SCHEMBL6785883 | 0.72 | CA12 (0.36) | — | |
| SCHEMBL8936717 | 0.72 | MAP3K14 (0.35) | — | |
| SCHEMBL6784883 | 0.71 | CYP3A4 (0.33) | — | |
| SCHEMBL6314664 | 0.71 | POLB (0.33) | — | |
| SCHEMBL4031697 | 0.68 | NCEH1 (0.53) | — | |
| SCHEMBL6791906 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL14992971 | 0.67 | HTR2A (0.36) | — | |
| SCHEMBL22208979 | 0.67 | DRD2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8980951-B2 | Sesquiterpenes for antifungal applications | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2015-03-17 | — | — | US | disclosed |
| US-20140135404-A1 | SESQUITERPENES FOR ANTIFUNGAL APPLICATIONS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2014-05-15 | — | — | US | disclosed |
| US-6727277-B1 | BENZO(A)XANTHENE DERIVATIVES; LYMPHATIC ABSORPTION INTENSIFIERS 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE INHIBITORS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2004-04-27 | — | — | US | disclosed |