⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12053909 | 0.92 | — | — | |
| SCHEMBL8042492 | 0.81 | — | — | |
| SCHEMBL662994 | 0.81 | — | — | |
| SCHEMBL8423128 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL517125 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL6056934 | 0.77 | — | — | |
| SCHEMBL5439184 | 0.73 | — | — | |
| SCHEMBL3571508 | 0.73 | — | — | |
| SCHEMBL233668 | 0.71 | — | — | |
| SCHEMBL4254789 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101970996-A | SERS-based single-step real-time detection of protein kinase and/or phosphatase activity | UNIV CALIFORNIA | 2011-02-09 | — | — | CN | disclosed |
| CN-101300492-A | Single receptor assays for immunosuppressive drugs | ROCHE DIAGNOSTICS GMBH (CH) | 2008-11-05 | — | — | CN | disclosed |
| US-6027849-A | SUBSTRATE COATED WITH PHOTOSENSITIVE LAYER COMPRISING A RADIATION ABSORBING MATERIAL AND POLYGLYCIDYL AZIDE CAPABLE SOLVENT-FREE RELIEF IMAGE DEVELOPMENT; PRINTING PLATES | IMATION CORP. (US) | 2000-02-22 | — | — | US | disclosed |
| EP-0562952-B1 | Ablative imageable element | MINNESOTA MINING & MFG (US) | 1996-12-27 | — | — | EP | disclosed |
| EP-0562952-A1 | Ablative imageable element | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1993-09-29 | — | — | EP | disclosed |