⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28093950 | 1.00 | — | — | |
| SCHEMBL28078849 | 1.00 | — | — | |
| SCHEMBL668278 | 0.78 | — | — | |
| SCHEMBL27586478 | 0.78 | CYP3A4 (0.30) | — | |
| SCHEMBL19023823 | 0.67 | — | — | |
| SCHEMBL29183703 | 0.65 | — | — | |
| SCHEMBL29264384 | 0.65 | — | — | |
| SCHEMBL7370064 | 0.65 | — | — | |
| SCHEMBL29264386 | 0.65 | — | — | |
| SCHEMBL7411015 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105833909-B | (S) Cr-Anderson types heteropolyacid catalyst thiourea modified -1- (2- hydroxyl -1- phenethyls), preparation method and applications | 上海应用技术学院 | 2018-05-15 | — | — | CN | disclosed |
| CN-105797769-B | (R) the thiourea modified Mn Anderson types heteropolyacid catalyst of 1 (phenethyl of 2 hydroxyl 1), preparation method and applications | 上海应用技术学院 | 2018-03-30 | — | — | CN | disclosed |
| CN-106475143-A | (R) the unilateral Fe Anderson type heteropolyacid catalyst modified of 1 (2 hydroxyl 1 phenethyl) thiourea, preparation method and applications | 上海应用技术大学 | 2017-03-08 | — | — | CN | disclosed |