⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1095319 | 0.93 | — | — | |
| SCHEMBL1095810 | 0.91 | PSMB8 (0.32) | — | |
| SCHEMBL1095835 | 0.87 | — | — | |
| SCHEMBL1095836 | 0.84 | — | — | |
| SCHEMBL4080660 | 0.81 | PSMB8 (0.34) | — | |
| SCHEMBL4090676 | 0.80 | HDAC6 (0.33) | — | |
| SCHEMBL1095518 | 0.76 | PSMB8 (0.32) | — | |
| SCHEMBL13770055 | 0.69 | PSMB8 (0.34) | — | |
| SCHEMBL4085633 | 0.69 | HDAC6 (0.34) | — | |
| SCHEMBL13770053 | 0.69 | PSMB8 (0.33) | — |
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-20120107830-A1 | REAGENTS FOR BIOMOLECULAR LABELING, DETECTION AND QUANTIFICATION EMPLOYING RAMAN SPECTROSCOPY | PURDUE RESEARCH FOUNDATION | 2012-05-03 | — | — | US | disclosed |
| US-8153827-B2 | Reagents for biomolecular labeling, detection and quantification employing Raman spectroscopy | PURDUE RESEARCH FOUNDATION (US) | 2012-04-10 | — | — | US | disclosed |