⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2631872 | 0.73 | — | — | |
| SCHEMBL25001285 | 0.73 | — | — | |
| SCHEMBL25001284 | 0.73 | MPO (0.31) | — | |
| SCHEMBL30437993 | 0.71 | — | — | |
| SCHEMBL21577857 | 0.71 | — | — | |
| SCHEMBL11816135 | 0.71 | — | — | |
| SCHEMBL8090568 | 0.71 | — | — | |
| SCHEMBL19256226 | 0.68 | — | — | |
| SCHEMBL22993213 | 0.68 | ACHE (0.31) | — | |
| SCHEMBL391074 | 0.67 | — | — |
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-20070080319-A1 | Rust preventive for magnesium and/or magnesium alloy | OTSUKA CHEMICAL CO., LTD. (JP) | 2007-04-12 | — | — | US | disclosed |
| EP-1683894-A1 | RUST PREVENTIVE FOR MAGNESIUM AND/OR MAGNESIUM ALLOY | Otsuka Chemical Co., Ltd. (JP) | 2006-07-26 | — | — | EP | disclosed |