⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15502281 | 0.91 | ALDH1A1 (0.35) | — | |
| SCHEMBL5220339 | 0.89 | HTT (0.38) | — | |
| SCHEMBL21526626 | 0.85 | KDM4E (0.37) | — | |
| SCHEMBL15298875 | 0.83 | BDKRB2 (0.36) | — | |
| SCHEMBL11818817 | 0.83 | HTT (0.35) | — | |
| SCHEMBL11817445 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL16306647 | 0.82 | KDM4E (0.36) | — | |
| SCHEMBL23083832 | 0.81 | POLB (0.32) | — | |
| SCHEMBL16225020 | 0.81 | — | — | |
| SCHEMBL11814320 | 0.80 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017121650-A1 | 8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2017-07-20 | — | — | WO | disclosed |
| WO-2012061552-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS | THERAVANCE, INC. (US) | 2012-05-10 | — | — | WO | disclosed |
| US-7618987-B2 | Acylated piperidine derivatives as melanocortin 4-receptor agonists | MERCK & CO., INC. (US) | 2009-11-17 | — | — | US | disclosed |
| CN-1341594-A | Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide | ZENECA LTD (GB) | 2002-03-27 | — | — | CN | disclosed |
| CN-1153512-A | Substituted pyrrolidones, thiazolidinones or oxazolidinones as herbicides | ZENECA LTD (GB) | 1997-07-02 | — | — | CN | disclosed |
| EP-0763020-A1 | SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES | ZENECA LIMITED (GB) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995033719-A1 | SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES | ZENECA LIMITED (GB) | 1995-12-14 | — | — | WO | disclosed |