⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13719054 | 0.79 | — | — | |
| SCHEMBL5089982 | 0.73 | — | — | |
| SCHEMBL5095702 | 0.66 | — | — | |
| SCHEMBL7000815 | 0.63 | TSHR (0.34) | — | |
| SCHEMBL6651502 | 0.58 | GRIN1 (0.34) | — | |
| SCHEMBL13416098 | 0.58 | GRIN1 (0.34) | — | |
| SCHEMBL5095226 | 0.57 | GRIN1 (0.40) | — | |
| SCHEMBL441384 | 0.57 | — | — | |
| SCHEMBL439894 | 0.54 | GRIN2D (0.32) | — | |
| SCHEMBL440034 | 0.54 | PTPN1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7470824-B2 | Adamantane derivative and process for producing the same | IDEMITSU KOSAN CO., LTD. (JP) | 2008-12-30 | — | — | US | disclosed |
| US-20060149073-A1 | Adamantane derivative and process for producing the same | IDEMITSU KOSAN CO. (JP) | 2006-07-06 | — | — | US | disclosed |
| EP-1577285-A1 | ADAMANTANE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | IDEMITSU KOSAN COMPANY LIMITED (JP) | 2005-09-21 | — | — | EP | disclosed |