⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14136628 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL383731 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL4818972 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL16504168 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL2621446 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL14136629 | 0.80 | — | — | |
| SCHEMBL23823738 | 0.78 | — | — | |
| SCHEMBL10030503 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL21395330 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL19364625 | 0.78 | — | — |
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-8193384-B2 | Synthesized using diphosphitylating reagents via solid-phase synthesis; antisense therapy; genetic disorders; anticarcinogenic agents, viricides | Board of Governors for Higher Education, State of Rhode Island and Providence Plantation (US) | 2012-06-05 | — | — | US | disclosed |