⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27568711 | 0.87 | — | — | |
| SCHEMBL28671984 | 0.87 | — | — | |
| SCHEMBL27482278 | 0.87 | — | — | |
| SCHEMBL29046447 | 0.87 | — | — | |
| SCHEMBL2138266 | 0.87 | — | — | |
| SCHEMBL28046822 | 0.87 | — | — | |
| SCHEMBL28271648 | 0.87 | — | — | |
| SCHEMBL28489947 | 0.75 | — | — | |
| SCHEMBL28345989 | 0.75 | — | — | |
| Water SCHEMBL29193757 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105506440-B | A kind of high-strength high-tractility spheroidal graphite cast-iron reel and preparation method thereof | 山东汇丰铸造科技股份有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-105506440-A | Nodular cast iron winding drum high in strength and ductility and preparation method thereof | SHANDONG HUIFENG CASTING TECH CO LTD | 2016-04-20 | — | — | CN | disclosed |