⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL398945 | 0.97 | — | — | |
| SCHEMBL3788534 | 0.94 | — | — | |
| Trimethylammonium SCHEMBL11761648 | 0.87 | ALDH1A1 (0.40) | — | |
| Biphenyl SCHEMBL16213023 | 0.78 | MCL1 (0.46) | — | |
| SCHEMBL1347696 | 0.71 | TDP1 (0.44) | — | |
| SCHEMBL14845431 | 0.71 | — | — | |
| SCHEMBL11569766 | 0.69 | — | — | |
| SCHEMBL5430674 | 0.69 | — | — | |
| SCHEMBL3801642 | 0.69 | — | — | |
| SCHEMBL20472689 | 0.69 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2160396-A2 | THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS | Agilent Technologies, Inc. (US) | 2010-03-10 | — | — | EP | disclosed |
| WO-2008141248-A2 | THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS | AGILENT TECHNOLOGIES, INC. (US) | 2008-11-20 | — | — | WO | disclosed |
| EP-1788875-A2 | NOVEL POLYNUCLEOTIDE SYNTHESIS LABELING CHEMISTRY | Dharmacon, Inc. (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006033730-A2 | NOVEL POLYNUCLEOTIDE SYNTHESIS LABELING CHEMISTRY | DHARMACON, INC. (US) | 2006-03-30 | — | — | WO | disclosed |