⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL283957 | 0.97 | TSHR (0.31) | — | |
| SCHEMBL20104792 | 0.97 | TSHR (0.31) | — | |
| SCHEMBL284685 | 0.97 | TSHR (0.31) | — | |
| SCHEMBL27883620 | 0.94 | — | — | |
| Fluoride SCHEMBL7235981 | 0.94 | — | — | |
| SCHEMBL27867361 | 0.94 | — | — | |
| SCHEMBL284625 | 0.94 | — | — | |
| SCHEMBL5223433 | 0.88 | — | — | |
| Acetic Acid SCHEMBL7704615 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL23740108 | 0.81 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102617684-B | Compound and preparation method thereof | CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD | 2014-07-16 | — | — | CN | claimed |
| CN-102617684-A | Compound and preparation method thereof | CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD | 2012-08-01 | — | — | CN | claimed |
| WO-2011029896-A1 | METHODS OF PREPARATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2011-03-17 | — | — | WO | claimed |
| CN-102827048-A | Intermediate of fulvestrant and preparation method and application thereof | CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY SHIJIAZHUANG CO LTD | 2012-12-19 | — | — | CN | disclosed |
| WO-2011029896-A1 | METHODS OF PREPARATION OF MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2011-03-17 | — | — | WO | disclosed |
| US-4698339-A | BETA-LACTAMASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1987-10-06 | — | — | US | disclosed |
| EP-0137403-A2 | Carbapenems, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-04-17 | — | — | EP | disclosed |