⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4566781 | 0.88 | — | — | |
| SCHEMBL2411145 | 0.84 | HTR2C (0.30) | — | |
| SCHEMBL4566745 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL4566627 | 0.82 | ABCC9 (0.33) | — | |
| SCHEMBL5002892 | 0.82 | — | — | |
| SCHEMBL4566448 | 0.81 | HTT (0.34) | — | |
| SCHEMBL2411146 | 0.80 | — | — | |
| SCHEMBL4569945 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL1580841 | 0.80 | KMT2A (0.31) | — | |
| SCHEMBL4566561 | 0.79 | HTR6 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2114917-A2 | PYRROLE COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008108380-A2 | PYRROLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-09-12 | — | — | WO | disclosed |