⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6766893 | 0.75 | GRIN2D (0.36) | — | |
| SCHEMBL6770724 | 0.73 | GRIN2D (0.30) | — | |
| SCHEMBL6764335 | 0.72 | GRIN2D (0.33) | — | |
| SCHEMBL6762005 | 0.71 | GRIN2D (0.33) | — | |
| SCHEMBL6762207 | 0.69 | GRIN2D (0.33) | — | |
| SCHEMBL6683935 | 0.68 | GRIN2D (0.33) | — | |
| SCHEMBL6765059 | 0.66 | HSD11B1 (0.36) | — | |
| SCHEMBL6762001 | 0.63 | GRIN2D (0.30) | — | |
| SCHEMBL6762051 | 0.62 | HSD11B1 (0.33) | — | |
| SCHEMBL4104795 | 0.60 | APP (0.39) | — |
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-20040127715-A1 | Adamantane compounds and insulating film forming coating solutions | SUMITOMO CHEMICAL COMPANY, LIMITED | 2004-07-01 | — | — | US | disclosed |