⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL15922005 | 0.92 | PPARD (0.34) | — | |
| SCHEMBL10308495 | 0.85 | MEN1 (0.52) | — | |
| SCHEMBL16450273 | 0.83 | — | — | |
| SCHEMBL7717621 | 0.82 | PKM (0.40) | — | |
| SCHEMBL5488684 | 0.81 | TSHR (0.37) | — | |
| SCHEMBL7717618 | 0.80 | — | — | |
| SCHEMBL4147128 | 0.78 | — | — | |
| SCHEMBL17029663 | 0.78 | — | — | |
| SCHEMBL12116715 | 0.76 | CYP3A4 (0.37) | — | |
| SCHEMBL11424221 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8426388-B2 | Prodrugs of HIV protease inhibitors | ABBVIE INC. (US) | 2013-04-23 | — | — | US | disclosed |
| CN-102655838-A | Novel multifunctional molecules for dental bonding applications having improved adhesion | SEPTODONT CONFI DENTAL DIVISION | 2012-09-05 | — | — | CN | disclosed |
| US-20100286032-A1 | PRODRUGS OF HIV PROTEASE INHIBITORS | ABBOTT LABORATORIES (US) | 2010-11-11 | — | — | US | disclosed |
| US-7718633-B2 | Prodrugs of HIV protease inhibitors | ABBOTT LABORATORIES (US) | 2010-05-18 | — | — | US | disclosed |
| US-20070270383-A1 | Prodrugs of HIV protease inhibitors | ABBVIE INC. | 2007-11-22 | — | — | US | disclosed |