⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3843322 | 0.77 | — | — | |
| SCHEMBL31091494 | 0.63 | — | — | |
| SCHEMBL1196627 | 0.58 | — | — | |
| SCHEMBL4486855 | 0.58 | — | — | |
| SCHEMBL27723749 | 0.53 | TSHR (0.41) | — | |
| Terephthalic Acid SCHEMBL1535439 | 0.51 | TSHR (0.92) | — | |
| SCHEMBL28133933 | 0.51 | CA12 (0.61) | — | |
| Bicarbonate SCHEMBL6027017 | 0.47 | — | — | |
| Bicarbonate SCHEMBL9576694 | 0.47 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL11823007 | 0.47 | — | — |
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-20080242656-A1 | N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof | JAPAN TOBACCO INC. | 2008-10-02 | — | — | US | disclosed |
| US-20050222146-A1 | N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2005-10-06 | — | — | US | disclosed |
| CN-1130377-A | Cyclic amide derivatives | OTSUKA PHARMA CO LTD (JP) | 1996-09-04 | — | — | CN | disclosed |