⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2170870 | 0.84 | AOC3 (0.30) | — | |
| SCHEMBL22219451 | 0.82 | AOC3 (0.30) | — | |
| SCHEMBL429544 | 0.75 | SPHK1 (0.34) | — | |
| SCHEMBL13453353 | 0.73 | — | — | |
| SCHEMBL22780999 | 0.73 | — | — | |
| SCHEMBL7565117 | 0.73 | — | — | |
| SCHEMBL13452816 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL172631 | 0.73 | — | — | |
| SCHEMBL23698338 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL2197286 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002057372-A2 | STABILIZATION OF VINYLETHER AND VINYL LACTAM FORMULATIONS AGAINST HYDROLYSIS | ISP INVESTMENTS INC. (US) | 2002-07-25 | — | — | WO | disclosed |