⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14351306 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL150224 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL27780220 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL27987630 | 0.66 | TSHR (0.33) | — | |
| Methacrylic Acid SCHEMBL1787281 | 0.66 | THRB (0.41) | — | |
| Methacrylic Acid SCHEMBL38659505 | 0.66 | THRB (0.41) | — | |
| SCHEMBL8084375 | 0.65 | TSHR (0.53) | — | |
| 1,4-Butanediol SCHEMBL22607675 | 0.65 | TSHR (0.53) | — | |
| SCHEMBL8402003 | 0.65 | TSHR (0.49) | — | |
| SCHEMBL29353255 | 0.65 | TSHR (0.38) | — |
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-9028965-B2 | Heat storage microcapsules and manufacturing method thereof | KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) | 2015-05-12 | — | — | US | disclosed |
| US-20120148845-A1 | HEAT STORAGE MICROCAPSULES AND MANUFACTURING METHOD THEREOF | KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) | 2012-06-14 | — | — | US | disclosed |