⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4275576 | 0.83 | PKM (0.33) | — | |
| SCHEMBL27262929 | 0.81 | — | — | |
| SCHEMBL24691539 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL26299119 | 0.77 | — | — | |
| SCHEMBL17834090 | 0.76 | — | — | |
| SCHEMBL2941966 | 0.75 | — | — | |
| SCHEMBL15076435 | 0.73 | PIM1 (0.33) | — | |
| SCHEMBL23579508 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL7713077 | 0.73 | SIGMAR1 (0.32) | — | |
| SCHEMBL13503995 | 0.72 | KDM4E (0.34) | — |
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-20220388978-A1 | CEREBLON E3 LIGASE INHIBITORS | REGENTS OF THE UNIVERSITY OF MICHIGAN | 2022-12-08 | — | — | US | disclosed |
| WO-2009131246-A1 | SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS | ASTELLAS PHARMA INC. (JP) | 2009-10-29 | — | — | WO | disclosed |
| WO-2009131246-A1 | SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS | ASTELLAS PHARMA INC. (JP) | 2009-10-29 | — | — | WO | disclosed |