⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3609111 | 0.69 | — | — | |
| SCHEMBL8629734 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL1114317 | 0.62 | — | — | |
| SCHEMBL4267933 | 0.60 | TSHR (0.67) | — | |
| SCHEMBL107513 | 0.56 | — | — | |
| SCHEMBL13656494 | 0.56 | — | — | |
| SCHEMBL3528169 | 0.56 | — | — | |
| SCHEMBL264698 | 0.56 | — | — | |
| SCHEMBL4265129 | 0.56 | — | — | |
| SCHEMBL577813 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100016396-A1 | PYRAZOLE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-21 | — | — | US | disclosed |
| EP-2128138-A1 | PYRAZOLE COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| EP-0755390-B1 | PROCESS FOR THE PREPARATION OF 5-AMINO-1,3-DIOXANES | BRACCO INT BV (NL) | 1998-08-19 | — | — | EP | disclosed |
| US-5770773-A | Process for the preparation of 5-amino-1,3-dioxanes | ZAMBON GROUP S.P.A. (IT) | 1998-06-23 | — | — | US | disclosed |
| US-5663372-A | Process for the preparation of 5-amino-1,3-dioxanes | ZAMBON GROUP S.P.A. (IT) | 1997-09-02 | — | — | US | disclosed |
| EP-0755390-A1 | PROCESS FOR THE PREPARATION OF 5-AMINO-1,3-DIOXANES | ZAMBON GROUP S.p.A. (IT) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995028395-A1 | PROCESS FOR THE PREPARATION OF 5-AMINO-1,3-DIOXANES | ZAMBON GROUP S.P.A. (IT) | 1995-10-26 | — | — | WO | disclosed |