⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5609994 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL30366320 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL2887670 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL8579622 | 0.71 | HTR2A (0.44) | — | |
| SCHEMBL146899 | 0.71 | — | — | |
| SCHEMBL6309502 | 0.71 | HPRT1 (0.42) | — | |
| SCHEMBL3250828 | 0.69 | — | — | |
| SCHEMBL4949059 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL15352243 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL6641451 | 0.65 | HSD17B10 (0.44) | — |
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-1377577-A1 | PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES | Sankyo Company Limited (JP) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002057264-A1 | PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES | SANKYO COMPANY LIMITED (JP) | 2002-07-25 | — | — | WO | disclosed |