⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3425614 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL22688562 | 0.70 | FKBP1A (0.31) | — | |
| SCHEMBL19038331 | 0.69 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL10166227 | 0.69 | HDAC6 (0.39) | — | |
| SCHEMBL14962676 | 0.66 | MGLL (0.54) | — | |
| SCHEMBL3425627 | 0.66 | PAOX (0.34) | — | |
| SCHEMBL3428460 | 0.66 | PTGS1 (0.41) | — | |
| SCHEMBL5035064 | 0.66 | HDAC6 (0.32) | — | |
| SCHEMBL26740833 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL19038333 | 0.65 | SMN1; SMN2 (0.49) | — |
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 |