⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10641706 | 0.83 | SLC7A5 (0.43) | — | |
| SCHEMBL14508101 | 0.81 | — | — | |
| SCHEMBL23979315 | 0.81 | — | — | |
| SCHEMBL5522530 | 0.81 | — | — | |
| SCHEMBL2617107 | 0.81 | — | — | |
| SCHEMBL13131507 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8777148 | 0.79 | SLC7A5 (0.61) | — | |
| SCHEMBL497637 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8777147 | 0.79 | SLC7A5 (0.61) | — | |
| SCHEMBL25083538 | 0.79 | — | — |
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-20160324980-A1 | METHODS OF PREPARATION OF CONJUGATES | IMMUNOGEN, INC. | 2016-11-10 | — | — | US | disclosed |
| EP-1067894-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1067894-A2 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999059526-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-11-25 | — | — | WO | disclosed |