⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL28019539 | 0.90 | — | — | |
| SCHEMBL29133592 | 0.90 | TSHR (0.32) | — | |
| SCHEMBL2578 | 0.90 | — | — | |
| Methane SCHEMBL27633340 | 0.87 | — | — | |
| SCHEMBL28153366 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL27536311 | 0.87 | — | — | |
| SCHEMBL30336744 | 0.87 | — | — | |
| Fluoride SCHEMBL15259547 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11735071 | 0.87 | — | — | |
| SCHEMBL28176518 | 0.87 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5124005-A | Adding extractive agent | Berg, Lloyd (US) | 1992-06-23 | — | — | US | claimed |
| CN-104884454-B | The heterocyclic compound of acid amides substitution as IL 12, IL 23 and/or IFN α answer-reply regulator | 百时美施贵宝公司 | 2017-11-28 | — | — | CN | disclosed |
| US-5124005-A | Adding extractive agent | Berg, Lloyd (US) | 1992-06-23 | — | — | US | disclosed |