⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1144432 | 1.00 | — | — | |
| SCHEMBL2354013 | 0.69 | — | — | |
| SCHEMBL642467 | 0.67 | — | — | |
| SCHEMBL4231036 | 0.67 | ABCG2 (0.48) | — | |
| SCHEMBL15738342 | 0.67 | — | — | |
| SCHEMBL8535551 | 0.67 | — | — | |
| SCHEMBL327522 | 0.67 | — | — | |
| SCHEMBL11234235 | 0.65 | — | — | |
| SCHEMBL23783523 | 0.63 | — | — | |
| SCHEMBL3225207 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3668883-A1 | ORTHOESTER COMPOSITIONS FOR AFFINITY PURIFICATION OF OLIGONUCLEOTIDES | Agilent Technologies, Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019036029-A1 | ORTHOESTER COMPOSITIONS FOR AFFINITY PURIFICATION OF OLIGONUCLEOTIDES | AGILENT TECHNOLOGIES, INC. (US) | 2019-02-21 | — | — | WO | disclosed |