⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27697494 | 0.82 | — | — | |
| SCHEMBL30739490 | 0.82 | — | — | |
| SCHEMBL2580950 | 0.82 | — | — | |
| SCHEMBL2592934 | 0.82 | — | — | |
| SCHEMBL472027 | 0.82 | — | — | |
| SCHEMBL28569782 | 0.67 | — | — | |
| Water SCHEMBL28416023 | 0.67 | — | — | |
| SCHEMBL28635153 | 0.67 | — | — | |
| SCHEMBL14762073 | 0.67 | — | — | |
| SCHEMBL2127367 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103572097-B | Material used for magnetic refrigeration, and preparation method and application thereof | CHINESE ACAD PHYSICS INST | 2015-07-22 | — | — | CN | disclosed |
| CN-103572097-A | Material used for magnetic refrigeration, and preparation method and application thereof | CHINESE ACAD PHYSICS INST | 2014-02-12 | — | — | CN | disclosed |
| EP-0810823-A1 | COMPOSITION FOR CONTROLLING PARASITES | Novartis AG (CH) | 1997-12-10 | — | — | EP | disclosed |
| US-5590533-A | Refrigerator having regenerator | SUMITOMO HEAVY INDUSTRIES, LTD. (JP) | 1997-01-07 | — | — | US | disclosed |
| US-5481879-A | Refrigerator having regenerator | SUMITOMO HEAVY INDUSTRIES, LTD. (JP) | 1996-01-09 | — | — | US | disclosed |