⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18637429 | 0.84 | — | — | |
| SCHEMBL24246725 | 0.76 | — | — | |
| SCHEMBL14101868 | 0.70 | — | — | |
| SCHEMBL23933171 | 0.65 | — | — | |
| SCHEMBL5345062 | 0.64 | — | — | |
| SCHEMBL7137499 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL23830198 | 0.61 | — | — | |
| SCHEMBL25905106 | 0.60 | — | — | |
| SCHEMBL653175 | 0.60 | — | — | |
| SCHEMBL24425403 | 0.57 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103193587-B | Synthetic method of tetrafluoro adamantane | UNIV NANJING SCIENCE & TECH | 2015-04-22 | — | — | CN | disclosed |
| CN-103193587-B | Synthetic method of tetrafluoro adamantane | UNIV NANJING SCIENCE & TECH | 2015-04-22 | — | — | CN | disclosed |
| CN-103193587-B | Synthetic method of tetrafluoro adamantane | UNIV NANJING SCIENCE & TECH | 2015-04-22 | — | — | CN | disclosed |
| CN-103193587-A | Synthetic method of tetrafluoro adamantane | UNIV NANJING SCIENCE & TECH | 2013-07-10 | — | — | CN | disclosed |
| CN-103193587-A | Synthetic method of tetrafluoro adamantane | UNIV NANJING SCIENCE & TECH | 2013-07-10 | — | — | CN | disclosed |
| CN-103193587-A | Synthetic method of tetrafluoro adamantane | UNIV NANJING SCIENCE & TECH | 2013-07-10 | — | — | CN | disclosed |