⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6765041 | 0.82 | — | — | |
| SCHEMBL6762190 | 0.81 | — | — | |
| SCHEMBL6762204 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL6765266 | 0.74 | — | — | |
| SCHEMBL7047928 | 0.71 | — | — | |
| SCHEMBL6765045 | 0.69 | — | — | |
| SCHEMBL6764298 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL2849010 | 0.66 | GRIN2D (0.34) | — | |
| SCHEMBL2763536 | 0.66 | PGR (0.46) | — | |
| SCHEMBL938260 | 0.64 | PTPN1 (0.30) | — |
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 |