⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL889025 | 0.77 | — | — | |
| SCHEMBL10715148 | 0.77 | PIN1 (0.33) | — | |
| SCHEMBL3604350 | 0.77 | — | — | |
| SCHEMBL14026135 | 0.71 | PIN1 (0.33) | — | |
| SCHEMBL6104097 | 0.71 | CFTR (0.37) | — | |
| SCHEMBL12647209 | 0.65 | LMNA (0.52) | — | |
| SCHEMBL18744693 | 0.64 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL889035 | 0.59 | — | — | |
| SCHEMBL14151624 | 0.59 | — | — | |
| SCHEMBL13872418 | 0.59 | SMN1; SMN2 (0.61) | — |
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 |