⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18210289 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL18210287 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL18210154 | 0.79 | — | — | |
| SCHEMBL18210152 | 0.79 | — | — | |
| SCHEMBL4974913 | 0.74 | — | — | |
| SCHEMBL24909116 | 0.73 | NPSR1 (0.33) | — | |
| SCHEMBL2837209 | 0.71 | — | — | |
| SCHEMBL19990110 | 0.71 | — | — | |
| SCHEMBL19990112 | 0.71 | — | — | |
| SCHEMBL19990109 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090018133-A1 | Novel Adamantane Derivatives | FORD RHONAN | 2009-01-15 | — | — | US | disclosed |
| US-20050090524-A1 | Novel adamantane derivatives | ASTRAZENECA AB (SE) | 2005-04-28 | — | — | US | disclosed |