⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14436880 | 0.82 | TSHR (0.84) | — | |
| SCHEMBL6536779 | 0.80 | — | — | |
| SCHEMBL18205594 | 0.80 | — | — | |
| SCHEMBL11064308 | 0.79 | TSHR (0.61) | — | |
| SCHEMBL6345873 | 0.78 | — | — | |
| SCHEMBL261326 | 0.78 | — | — | |
| SCHEMBL5115040 | 0.78 | — | — | |
| SCHEMBL5998335 | 0.78 | — | — | |
| SCHEMBL11572549 | 0.78 | — | — | |
| SCHEMBL12430457 | 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-4435404-A | ANTICOAGULANTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1984-03-06 | — | — | US | disclosed |