⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13624738 | 0.86 | — | — | |
| SCHEMBL14555981 | 0.86 | — | — | |
| SCHEMBL12337502 | 0.83 | — | — | |
| SCHEMBL24936416 | 0.80 | — | — | |
| SCHEMBL12430384 | 0.78 | — | — | |
| SCHEMBL13184612 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL12158544 | 0.77 | — | — | |
| SCHEMBL14477350 | 0.76 | — | — | |
| SCHEMBL8361000 | 0.75 | LMNA (0.35) | — | |
| SCHEMBL12753705 | 0.75 | — | — |
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-20120252818-A1 | HEAT SHOCK PROTEIN BINDING COMPOUNDS, COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2012-10-04 | — | — | US | disclosed |
| US-7435737-B2 | Inhibitors of macrophage migration inhibitory factor and methods for identifying the same | AVANIR PHARMACEUTIALS (US) | 2008-10-14 | — | — | US | disclosed |