⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24535255 | 0.84 | — | — | |
| SCHEMBL10177371 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL370092 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL352021 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL351419 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL350079 | 0.74 | NSD2 (0.32) | — | |
| SCHEMBL10177366 | 0.74 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL10177367 | 0.74 | NSD2 (0.36) | — | |
| SCHEMBL408863 | 0.70 | S1PR1 (0.33) | — | |
| SCHEMBL352304 | 0.70 | HTR7 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2593226-B1 | PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS | ABBVIE IRELAND UNLIMITED CO (IE) | 2018-11-14 | — | — | EP | disclosed |
| EP-2887941-A1 | PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS | AbbVie Inc. (US) | 2015-07-01 | — | — | EP | disclosed |
| WO-2014031791-A1 | PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS | ABBVIE INC. (US) | 2014-02-27 | — | — | WO | disclosed |
| EP-2593439-A2 | PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS | Abbvie Inc. (US) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012009699-A2 | PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-01-19 | — | — | WO | disclosed |