⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19795728 | 1.00 | — | — | |
| SCHEMBL4319892 | 0.82 | — | — | |
| SCHEMBL15112949 | 0.80 | — | — | |
| SCHEMBL9750727 | 0.80 | MAPK1 (0.31) | — | |
| SCHEMBL21259049 | 0.80 | MAPK1 (0.31) | — | |
| SCHEMBL3315018 | 0.79 | — | — | |
| SCHEMBL15112947 | 0.79 | — | — | |
| SCHEMBL134615 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL8820909 | 0.78 | — | — | |
| SCHEMBL19504325 | 0.77 | ALDH1A1 (0.31) | — |
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-5066730-A | Catalyst is reaction product of Lewis acid and organic ether, polarization of ether bond to form a cationic carbon | THE UNIVERSITY OF AKRON (US) | 1991-11-19 | — | — | US | disclosed |
| US-4929683-A | ORGANIC ETHER, LEWIS ACID COMPLEX | UNIVERSITY OF AKRON (US) | 1990-05-29 | — | — | US | disclosed |
| EP-0265053-A2 | Living polymerization of olefins to end-functionalized polymers | Kennedy, Joseph Paul (US) | 1988-04-27 | — | — | EP | disclosed |