⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14492108 | 0.84 | ADRB1 (0.39) | — | |
| SCHEMBL5340206 | 0.83 | MAPT (0.35) | — | |
| Hydrochloric Acid SCHEMBL2474063 | 0.83 | ADRB1 (0.38) | — | |
| SCHEMBL5343695 | 0.82 | CHRM4 (0.36) | — | |
| SCHEMBL5346067 | 0.79 | MEN1 (0.38) | — | |
| SCHEMBL5342129 | 0.73 | MAPT (0.37) | — | |
| SCHEMBL2474052 | 0.72 | CCR4 (0.34) | — | |
| SCHEMBL2471713 | 0.71 | SLC6A3 (0.32) | — | |
| SCHEMBL2468277 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL2468274 | 0.71 | NPC1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070149558-A1 | Benzo-fused 5-membered heterocyclic compounds, their production and use | OHKAWA SHIGENORI | 2007-06-28 | — | — | US | disclosed |
| US-20070149558-A1 | Benzo-fused 5-membered heterocyclic compounds, their production and use | OHKAWA SHIGENORI | 2007-06-28 | — | — | US | 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 |