⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1886116 | 0.86 | — | — | |
| SCHEMBL1884830 | 0.85 | MAPK1 (0.33) | — | |
| SCHEMBL1882473 | 0.83 | — | — | |
| SCHEMBL1888176 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL1888364 | 0.82 | — | — | |
| SCHEMBL1885865 | 0.82 | — | — | |
| SCHEMBL1881997 | 0.82 | — | — | |
| SCHEMBL1882092 | 0.79 | — | — | |
| SCHEMBL1881143 | 0.78 | — | — | |
| SCHEMBL1890048 | 0.76 | KDM4E (0.32) | — |
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-7939682-B2 | Fluorine-containing adamantane derivative, fluorine-containing adamantane derivative having polymerizable group, and resin composition containing same | IDEMITSU KOSAN CO., LTD. (JP) | 2011-05-10 | — | — | US | disclosed |
| US-20090149665-A1 | FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2009-06-11 | — | — | US | disclosed |
| EP-1950190-A1 | FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2008-07-30 | — | — | EP | disclosed |