⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10032090 | 0.62 | — | — | |
| Propane SCHEMBL28762288 | 0.56 | TSHR (0.44) | — | |
| SCHEMBL15492829 | 0.54 | — | — | |
| Octane SCHEMBL28958535 | 0.54 | PPARD (0.50) | — | |
| Octane SCHEMBL28880960 | 0.54 | PPARD (0.50) | — | |
| SCHEMBL4029336 | 0.54 | — | — | |
| Ethyl Chloride SCHEMBL25258065 | 0.52 | TSHR (0.40) | — | |
| SCHEMBL31251403 | 0.51 | ALDH1A1 (0.39) | — | |
| SCHEMBL2302184 | 0.51 | — | — | |
| SCHEMBL7521878 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8124693-B2 | Polyisobutylene-based block anionomers and cationomers and synthesis thereof | THE UNIVERSITY OF AKRON (US) | 2012-02-28 | — | — | US | disclosed |