⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27386898 | 0.87 | TSHR (0.30) | — | |
| SCHEMBL27339849 | 0.85 | — | — | |
| SCHEMBL28061338 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL27783830 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL27536322 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL27599690 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL27683830 | 0.76 | CCR2 (0.31) | — | |
| SCHEMBL27650933 | 0.76 | TSHR (0.30) | — | |
| Benzene SCHEMBL27931563 | 0.75 | CCR2 (0.33) | — | |
| SCHEMBL27466130 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107075423-A | Cleasing compositions comprising polyetheramine | 宝洁公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-106661515-A | Detergent compositions comprising salts of polyetheramines and polymeric acids | 宝洁公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-103619830-B | Liquid phase acid catalyst is used to manufacture cyclic acetal or ketal | 伊士曼化工公司 | 2016-11-16 | — | — | CN | disclosed |