⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3181009 | 0.79 | HTR3E (0.58) | — | |
| SCHEMBL7870699 | 0.79 | HTR3E (0.58) | — | |
| SCHEMBL7870702 | 0.79 | HTR3E (0.58) | — | |
| SCHEMBL30102029 | 0.79 | HTR3E (0.58) | — | |
| SCHEMBL11430455 | 0.78 | HTR3E (0.52) | — | |
| SCHEMBL1374335 | 0.75 | — | — | |
| SCHEMBL12056079 | 0.75 | — | — | |
| SCHEMBL11346166 | 0.75 | — | — | |
| SCHEMBL30457140 | 0.75 | HTR3E (0.48) | — | |
| SCHEMBL9187875 | 0.73 | TSHR (0.50) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2509602-B1 | PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS CK2 INHIBITORS | SENHWA BIOSCIENCES INC (TW) | 2017-01-25 | — | — | EP | disclosed |
| US-20130012430-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-01-10 | — | — | US | disclosed |
| US-8314141-B2 | Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-11-20 | — | — | US | disclosed |
| US-7601725-B2 | Thienopyrimidines useful as Aurora kinase inhibitors | SUNESIS PHARMACEUTICALS, INC. (US) | 2009-10-13 | — | — | US | disclosed |
| US-20090143312-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-04 | — | — | US | disclosed |
| US-20080280877-A1 | Azetidines | PFIZER INC | 2008-11-13 | — | — | US | disclosed |
| US-7388017-B2 | Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-06-17 | — | — | US | disclosed |
| US-5723670-A | REACTION OF AROMATIC AMINE WITH HALIDE AND SULFONATE DERIVATIVE | BAYER CORPORATION (US) | 1998-03-03 | — | — | US | disclosed |