⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18418441 | 0.75 | — | — | |
| SCHEMBL22984444 | 0.65 | — | — | |
| SCHEMBL6136619 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL21218549 | 0.57 | — | — | |
| SCHEMBL2066377 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL7933677 | 0.57 | — | — | |
| SCHEMBL31722705 | 0.56 | — | — | |
| SCHEMBL4569252 | 0.54 | — | — | |
| SCHEMBL17046119 | 0.53 | — | — | |
| SCHEMBL31722570 | 0.53 | — | — |
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-20150094463-A1 | HYDROXYALKYLATED POLYROTAXANE PRODUCTION METHOD | UBE INDUSTRIES, LTD. (JP) | 2015-04-02 | — | — | US | disclosed |
| EP-2832750-A1 | PROCESS FOR PRODUCING HYDROXYALKYLATED POLYROTAXANE | Ube Industries, Ltd. (JP) | 2015-02-04 | — | — | EP | disclosed |
| CN-104203984-A | Process for producing hydroxyalkylated polyrotaxane | UBE INDUSTRIES | 2014-12-10 | — | — | CN | disclosed |