⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3604284 | 0.72 | — | — | |
| SCHEMBL11317711 | 0.70 | — | — | |
| SCHEMBL17982114 | 0.70 | — | — | |
| SCHEMBL24787158 | 0.70 | HCAR2 (0.38) | — | |
| SCHEMBL23530067 | 0.67 | CCR1 (0.38) | — | |
| SCHEMBL31613901 | 0.65 | NOTUM (0.39) | — | |
| SCHEMBL2935700 | 0.63 | — | — | |
| SCHEMBL7377341 | 0.63 | CCR1 (0.34) | — | |
| SCHEMBL25081251 | 0.63 | RAB9A (0.47) | — | |
| SCHEMBL19364256 | 0.63 | HTT (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7754743-B2 | Heteroarylcarbamoylbenzene derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-07-13 | — | — | US | disclosed |
| US-20090018056-A1 | Heteroarylcarbamoylbenzene derivatives | MSD K.K. (JP) | 2009-01-15 | — | — | US | disclosed |
| US-7432287-B2 | Heteroarylcarbamoylbenzene derivative | BANYU PHARMECEUTICAL CO., LTD. (JP) | 2008-10-07 | — | — | US | disclosed |
| US-20060167053-A1 | Heteroarylcarbamoylbenzene derivative | MSD K.K. (JP) | 2006-07-27 | — | — | US | disclosed |
| EP-1600442-A1 | HETEROARYLCARBAMOYLBENZENE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-11-30 | — | — | EP | disclosed |