⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1096513 | 0.86 | — | — | |
| SCHEMBL1095312 | 0.83 | HDAC6 (0.32) | — | |
| SCHEMBL4085633 | 0.79 | HDAC6 (0.34) | — | |
| SCHEMBL1095835 | 0.77 | — | — | |
| SCHEMBL1095524 | 0.74 | HDAC6 (0.33) | — | |
| SCHEMBL1096009 | 0.73 | — | — | |
| SCHEMBL4080393 | 0.70 | KDM4E (0.41) | — | |
| SCHEMBL12763965 | 0.67 | MEN1 (0.34) | — | |
| SCHEMBL13770605 | 0.66 | ABCB1 (0.35) | — | |
| SCHEMBL1095526 | 0.63 | FTO (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120107830-A1 | REAGENTS FOR BIOMOLECULAR LABELING, DETECTION AND QUANTIFICATION EMPLOYING RAMAN SPECTROSCOPY | PURDUE RESEARCH FOUNDATION | 2012-05-03 | — | — | US | disclosed |