⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1933182 | 0.78 | — | — | |
| SCHEMBL22693049 | 0.67 | MEN1 (0.35) | — | |
| SCHEMBL24726013 | 0.67 | — | — | |
| SCHEMBL9334853 | 0.67 | — | — | |
| SCHEMBL21419376 | 0.65 | — | — | |
| SCHEMBL21211432 | 0.65 | MEN1 (0.42) | — | |
| SCHEMBL1723214 | 0.65 | — | — | |
| SCHEMBL22150019 | 0.65 | SLC6A2 (0.31) | — | |
| SCHEMBL21538906 | 0.63 | — | — | |
| SCHEMBL31555780 | 0.63 | CCR5 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1553074-B1 | FUSED BENZENE DERIVATIVE AND USE | TAKEDA PHARMACEUTICAL (JP) | 2014-06-18 | — | — | EP | disclosed |
| US-20100267697-A1 | ION CHANNEL MODULATORS | WYETH (US) | 2010-10-21 | — | — | US | disclosed |
| US-7649001-B2 | Fused benzene derivative and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-19 | — | — | US | disclosed |
| EP-2099754-A1 | ION CHANNEL MODULATORS | Wyeth a Corporation of the State of Delaware (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008073929-A1 | ION CHANNEL MODULATORS | WYETH (US) | 2008-06-19 | — | — | WO | disclosed |
| US-20060106067-A1 | Fused benzene derivative and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-05-18 | — | — | US | disclosed |
| EP-1553074-A1 | FUSED BENZENE DERIVATIVE AND USE | Takeda Pharmaceutical Company Limited (JP) | 2005-07-13 | — | — | EP | disclosed |