⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1782394 | 0.85 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL12607009 | 0.84 | — | — | |
| SCHEMBL12607004 | 0.73 | — | — | |
| SCHEMBL1787340 | 0.72 | HTT (0.33) | — | |
| SCHEMBL1787366 | 0.67 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL12650842 | 0.66 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL10376154 | 0.63 | HIF1A (0.41) | — | |
| SCHEMBL10716857 | 0.62 | HIF1A (0.43) | — | |
| SCHEMBL28986195 | 0.60 | IGF1R (0.47) | — | |
| SCHEMBL13194645 | 0.60 | PTGES (0.35) | — |
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-8273901-B2 | Process of forming a pyrrole compound | Nanyang Technical University (SG) | 2012-09-25 | — | — | US | disclosed |
| US-8273901-B2 | Process of forming a pyrrole compound | Nanyang Technical University (SG) | 2012-09-25 | — | — | US | disclosed |
| US-8273901-B2 | Process of forming a pyrrole compound | Nanyang Technical University (SG) | 2012-09-25 | — | — | US | disclosed |
| US-20110124881-A1 | PROCESS OF FORMING A PYRROLE COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2011-05-26 | — | — | US | disclosed |
| US-20110124881-A1 | PROCESS OF FORMING A PYRROLE COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2011-05-26 | — | — | US | disclosed |
| US-20110124881-A1 | PROCESS OF FORMING A PYRROLE COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2011-05-26 | — | — | US | disclosed |