⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL769274 | 0.86 | NPSR1 (0.31) | — | |
| SCHEMBL4812380 | 0.82 | — | — | |
| SCHEMBL4811192 | 0.82 | — | — | |
| SCHEMBL5195240 | 0.77 | PKM (0.42) | — | |
| SCHEMBL4809569 | 0.77 | PKM (0.42) | — | |
| SCHEMBL4805893 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL414172 | 0.77 | NPSR1 (0.38) | — | |
| SCHEMBL1061868 | 0.72 | — | — | |
| SCHEMBL4805986 | 0.72 | — | — | |
| SCHEMBL5192002 | 0.72 | PKM (0.43) | — |
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-7402712-B2 | Adamantyl vinyl ether compound and production process for the same | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2008-07-22 | — | — | US | disclosed |
| US-20050004391-A1 | Adamantyl vinyl ether compound and production process for the same | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 2005-01-06 | — | — | US | disclosed |
| EP-1486480-A1 | Adamantyl vinyl ether compound and production process for the same | Idemitsu Petrochemical Co., Ltd. (JP) | 2004-12-15 | — | — | EP | disclosed |