⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL671120 | 0.80 | — | — | |
| SCHEMBL934987 | 0.76 | — | — | |
| SCHEMBL1446445 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL28345312 | 0.70 | — | — | |
| SCHEMBL10179625 | 0.70 | — | — | |
| SCHEMBL15349389 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL16671862 | 0.68 | TP53 (0.33) | — | |
| SCHEMBL28415872 | 0.68 | — | — | |
| SCHEMBL18107188 | 0.68 | TSHR (0.46) | — | |
| SCHEMBL18107404 | 0.68 | TSHR (0.43) | — |
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-102190624-B | Sulfur-containing/nitrogen-group-containing ionic liquid and preparation method thereof | 63975 FORCES PLA | 2015-01-07 | — | — | CN | claimed |
| CN-102190624-A | Sulfur-containing/nitrogen-group-containing ionic liquid and preparation method thereof | 63975 FORCES PLA | 2011-09-21 | — | — | CN | claimed |
| CN-102190624-B | Sulfur-containing/nitrogen-group-containing ionic liquid and preparation method thereof | 63975 FORCES PLA | 2015-01-07 | — | — | CN | disclosed |
| CN-102190624-A | Sulfur-containing/nitrogen-group-containing ionic liquid and preparation method thereof | 63975 FORCES PLA | 2011-09-21 | — | — | CN | disclosed |