⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1782680 | 0.79 | — | — | |
| SCHEMBL505651 | 0.74 | — | — | |
| SCHEMBL27993594 | 0.74 | KEAP1 (0.35) | — | |
| SCHEMBL23704484 | 0.74 | — | — | |
| Acrylic Acid SCHEMBL8411601 | 0.72 | LMNA (0.46) | — | |
| SCHEMBL874903 | 0.72 | — | — | |
| SCHEMBL4519497 | 0.71 | — | — | |
| SCHEMBL14725374 | 0.70 | — | — | |
| SCHEMBL10390321 | 0.69 | KEAP1 (0.31) | — | |
| SCHEMBL17976935 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107004905-A | Secondary cell electrolyte, secondary cell, battery pack, electric vehicle, accumulating system, electric tool and electronic installation | 索尼公司 | 2017-08-01 | — | — | CN | disclosed |
| EP-1568349-B1 | Conditioning cleansing composition for the hair based on silicones and specific waxes | COGNIS IP MAN GMBH (DE) | 2015-04-08 | — | — | EP | disclosed |
| US-20100184871-A1 | Polyglycerol Derivatives | CRODA INTERNATIONAL PLC (GB) | 2010-07-22 | — | — | US | disclosed |
| EP-1568349-A1 | Conditioning cleansing composition for the hair based on silicones and specific waxes | Cognis IP Management GmbH (DE) | 2005-08-31 | — | — | EP | disclosed |