⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22743761 | 0.87 | — | — | |
| SCHEMBL25456954 | 0.86 | — | — | |
| SCHEMBL383731 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL22743731 | 0.84 | — | — | |
| SCHEMBL16248691 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL4818972 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL10030503 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL566248 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL22697510 | 0.81 | — | — | |
| SCHEMBL2397817 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070015927-A1 | New phosphoramidite compounds | POSTECH FOUNDATION (KR) | 2007-01-18 | — | — | US | disclosed |