⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL779460 | 0.90 | — | — | |
| SCHEMBL776875 | 0.82 | HSD17B10 (0.33) | — | |
| SCHEMBL17240322 | 0.80 | — | — | |
| SCHEMBL17245069 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL384728 | 0.74 | — | — | |
| SCHEMBL8893283 | 0.74 | — | — | |
| SCHEMBL779791 | 0.73 | — | — | |
| SCHEMBL779461 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL5142535 | 0.71 | — | — | |
| SCHEMBL5147253 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2090564-A1 | ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITION, AND CURED PRODUCT OF THE RESIN COMPOSITION | Idemitsu Kosan Co., Ltd. (JP) | 2009-08-19 | — | — | EP | disclosed |