⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9344144 | 0.92 | — | — | |
| SCHEMBL9345701 | 0.92 | — | — | |
| SCHEMBL9345697 | 0.92 | — | — | |
| SCHEMBL9691822 | 0.89 | MEN1 (0.30) | — | |
| SCHEMBL28395191 | 0.88 | — | — | |
| SCHEMBL28395188 | 0.88 | — | — | |
| SCHEMBL23387053 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL30564566 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL30564565 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL16882357 | 0.85 | SHBG (0.31) | — |
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-9073906-B2 | Sulfamide derivative having an adamantyl group and its pharmaceutically acceptable salt | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2015-07-07 | — | — | US | disclosed |