⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28117127 | 0.80 | — | — | |
| Ethylene SCHEMBL8927826 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL20649 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL20550573 | 0.78 | ALDH1A1 (0.36) | — | |
| Bicarbonate SCHEMBL1169966 | 0.78 | TSHR (0.36) | — | |
| Water SCHEMBL2471732 | 0.76 | ALDH1A1 (0.33) | — | |
| Bicarbonate SCHEMBL177964 | 0.76 | CA1 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL5487461 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL7259074 | 0.73 | — | — | |
| SCHEMBL29059 | 0.73 | ALDH1A1 (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1997620-A | Ionic liquids comprising nitrogen-containing cations | UNIV YORK (GB) | 2007-07-11 | — | — | CN | claimed |
| CN-1997620-B | Ionic liquids comprising nitrogen-containing cations | UNIV YORK | 2012-10-03 | — | — | CN | disclosed |
| CN-102344379-A | Ionic liquid containing nitrogen-containing cation | UNIV YORK | 2012-02-08 | — | — | CN | disclosed |
| CN-1997620-A | Ionic liquids comprising nitrogen-containing cations | UNIV YORK (GB) | 2007-07-11 | — | — | CN | disclosed |
| CN-1404390-A | TNF-alpha inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-03-19 | — | — | CN | disclosed |
| EP-0561195-B1 | An invigorating herbal gel for supple skin | SHISEIDO CO LTD (JP) | 1996-05-01 | — | — | EP | disclosed |
| US-5407677-A | Containing fennel extract, inositol, dextran sulfate | SHISEIDO CO., LTD. (JP) | 1995-04-18 | — | — | US | disclosed |
| EP-0561195-A1 | An invigorating herbal gel for supple skin | SHISEIDO COMPANY LIMITED (JP) | 1993-09-22 | — | — | EP | disclosed |