⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29656 | 0.77 | CA2 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL4653036 | 0.74 | CA2 (0.37) | — | |
| SCHEMBL20526044 | 0.74 | CA2 (0.37) | — | |
| SCHEMBL7093894 | 0.74 | — | — | |
| SCHEMBL14955823 | 0.72 | CA2 (0.36) | — | |
| SCHEMBL11124284 | 0.72 | CA2 (0.36) | — | |
| SCHEMBL2791163 | 0.72 | — | — | |
| SCHEMBL1162565 | 0.72 | — | — | |
| SCHEMBL58903 | 0.72 | — | — | |
| SCHEMBL8211684 | 0.72 | — | — |
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-102482208-B | Ionic Liquid Containing Allyl Sulfonate Anion | WAKO PURE CHEMICAL INDUSTRY CO LTD | 2014-02-26 | — | — | CN | disclosed |
| CN-102482208-A | Ionic Liquid Containing Allyl Sulfonate Anion | WAKO PURE CHEM IND LTD | 2012-05-30 | — | — | CN | disclosed |
| US-7781035-B2 | Container for precision substrate | ZEON CORPORATION (JP) | 2010-08-24 | — | — | US | disclosed |
| US-20040224110-A1 | Container for precision substrate | ZEON CORPORATION (JP) | 2004-11-11 | — | — | US | disclosed |
| EP-1429380-A1 | CONTAINER FOR PRECISION SUBSTRATE | Zeon Corporation (JP) | 2004-06-16 | — | — | EP | disclosed |