⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1884611 | 0.92 | — | — | |
| SCHEMBL1885667 | 0.90 | — | — | |
| SCHEMBL1888253 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL1883508 | 0.82 | — | — | |
| SCHEMBL1887049 | 0.81 | — | — | |
| SCHEMBL7749235 | 0.56 | — | — | |
| Ethylenediamine SCHEMBL37647 | 0.54 | — | — | |
| Ethylenediamine SCHEMBL3083 | 0.54 | — | — | |
| Ethylenediamine SCHEMBL30253568 | 0.54 | — | — | |
| Ethylenediamine SCHEMBL7085968 | 0.54 | NFKB1 (0.50) | — |
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 |