⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2256127 | 0.84 | — | — | |
| SCHEMBL19071963 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL10988638 | 0.82 | SLC6A3 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL27615021 | 0.82 | SLC6A3 (0.46) | — | |
| SCHEMBL2643509 | 0.78 | — | — | |
| SCHEMBL4209324 | 0.78 | — | — | |
| SCHEMBL4870221 | 0.78 | — | — | |
| SCHEMBL11926805 | 0.78 | SLC6A3 (0.49) | — | |
| SCHEMBL2643512 | 0.78 | — | — | |
| SCHEMBL2593156 | 0.78 | — | — |
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-8003801-B2 | Chemical synthesis of a highly potent epothilone | THE SCRIPPS RESEARCH INSTITUTE (US) | 2011-08-23 | — | — | US | disclosed |
| US-20080293747-A1 | Chemical Synthesis of a Highly Potent Epothilone | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2008-11-27 | — | — | US | disclosed |