⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2497715 | 0.81 | HSD11B1 (0.32) | — | |
| SCHEMBL5345813 | 0.69 | DRD2 (0.44) | — | |
| SCHEMBL8868048 | 0.67 | IDO1 (0.38) | — | |
| SCHEMBL2472891 | 0.65 | CTSB (0.37) | — | |
| SCHEMBL9668101 | 0.62 | ALOX5 (0.46) | — | |
| SCHEMBL6441333 | 0.60 | NOTUM (0.40) | — | |
| SCHEMBL3599238 | 0.56 | ALOX5 (0.33) | — | |
| SCHEMBL2818050 | 0.56 | KCNE1 (0.49) | — | |
| SCHEMBL26794270 | 0.55 | GSK3A (0.39) | — | |
| SCHEMBL13592378 | 0.54 | ALOX5 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1411052-B1 | BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2011-10-05 | — | — | EP | disclosed |
| US-20070149558-A1 | Benzo-fused 5-membered heterocyclic compounds, their production and use | OHKAWA SHIGENORI | 2007-06-28 | — | — | US | disclosed |
| US-7208495-B2 | Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-04-24 | — | — | US | disclosed |
| US-20040167171-A1 | Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-08-26 | — | — | US | disclosed |
| EP-1411052-A1 | BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2004-04-21 | — | — | EP | disclosed |