⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19675040 | 0.83 | HDAC6 (0.31) | — | |
| SCHEMBL3425627 | 0.68 | PAOX (0.34) | — | |
| SCHEMBL20081691 | 0.65 | KDM4E (0.35) | — | |
| SCHEMBL19675107 | 0.63 | KDM4E (0.35) | — | |
| Bromide SCHEMBL5041514 | 0.62 | FKBP1A (0.41) | — | |
| SCHEMBL15672233 | 0.62 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL14871030 | 0.56 | FAAH (0.31) | — | |
| SCHEMBL23106270 | 0.56 | PTGS1 (0.70) | — | |
| SCHEMBL24342103 | 0.56 | PTGS1 (0.70) | — | |
| SCHEMBL10944188 | 0.54 | PLA2G7 (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9360457-B2 | NMR systems and methods for the rapid detection of analytes | T2 BIOSYSTEMS, INC. (US) | 2016-06-07 | — | — | US | disclosed |
| US-8409807-B2 | NMR systems and methods for the rapid detection of analytes | T2 BIOSYSTEMS, INC. (US) | 2013-04-02 | — | — | US | disclosed |
| US-20120301888-A1 | NMR SYSTEMS AND METHODS FOR THE RAPID DETECTION OF ANALYTES | T2 BIOSYSTEMS, INC. (US) | 2012-11-29 | — | — | US | disclosed |
| US-20120164644-A1 | NMR SYSTEMS AND METHODS FOR THE RAPID DETECTION OF ANALYTES | T2 BIOSYSTEMS, INC. (US) | 2012-06-28 | — | — | US | disclosed |