⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL287734 | 1.00 | — | — | |
| SCHEMBL17628707 | 0.79 | — | — | |
| SCHEMBL31649807 | 0.77 | — | — | |
| SCHEMBL20893628 | 0.77 | — | — | |
| SCHEMBL20893629 | 0.77 | — | — | |
| SCHEMBL3379951 | 0.75 | — | — | |
| SCHEMBL3379955 | 0.75 | — | — | |
| SCHEMBL163127 | 0.73 | TP53 (0.47) | — | |
| SCHEMBL17628680 | 0.73 | — | — | |
| SCHEMBL22692567 | 0.71 | TP53 (0.44) | — |
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-7785825-B2 | Compositions and methods for dehydration and cyclization of peptides, synthetic compounds, and lantibiotics | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2010-08-31 | — | — | US | disclosed |
| US-20050164339-A1 | Compositions and methods for dehydration and cyclization of peptides, synthetic compounds, and lantibiotics | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-07-28 | — | — | US | disclosed |