⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1789880 | 0.87 | UGT2B7 (0.32) | — | |
| SCHEMBL499720 | 0.87 | — | — | |
| SCHEMBL499721 | 0.87 | — | — | |
| SCHEMBL16876944 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL7923373 | 0.77 | — | — | |
| SCHEMBL10949834 | 0.77 | — | — | |
| SCHEMBL6216919 | 0.77 | — | — | |
| SCHEMBL10949839 | 0.77 | — | — | |
| SCHEMBL19469589 | 0.76 | — | — | |
| SCHEMBL19469586 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8912180-B2 | Heterocyclic compound | ASTELLAS PHARMA INC. (JP) | 2014-12-16 | — | — | US | disclosed |
| US-8912180-B2 | Heterocyclic compound | ASTELLAS PHARMA INC. (JP) | 2014-12-16 | — | — | US | disclosed |
| US-20130150364-A1 | HETEROCYCLIC COMPOUND | ASTELLAS PHARMA INC. (JP) | 2013-06-13 | — | — | US | disclosed |