⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5788333 | 0.78 | — | — | |
| SCHEMBL3676147 | 0.76 | CYP2A6 (0.37) | — | |
| SCHEMBL20561767 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL3253224 | 0.75 | — | — | |
| SCHEMBL13902223 | 0.74 | — | — | |
| SCHEMBL4769454 | 0.74 | POLB (0.34) | — | |
| SCHEMBL4092936 | 0.74 | — | — | |
| SCHEMBL256017 | 0.72 | — | — | |
| SCHEMBL10445253 | 0.72 | — | — | |
| SCHEMBL4573620 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8648111-B2 | N1-2-thiophene-2-ylethyl-N2-substituted biguanide derivate, preparation method thereof, and pharmaceutical composition containing the same as active ingredients | HANALL BIOPHARMA CO., LTD. (KR) | 2014-02-11 | — | — | US | disclosed |
| US-20110196015-A1 | N 1-2-THIOPHENE-2-YLETHYL-N2-SUBSTITUTED BIGUANIDE DERIVATE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENTS | HANALL BIOPHARMA CO., LTD. (KR) | 2011-08-11 | — | — | US | disclosed |
| WO-2007001335-A2 | RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY | VICURON PHARMACEUTICALS INC. (US) | 2007-01-04 | — | — | WO | disclosed |
| US-20060211603-A1 | Ramoplanin derivatives possessing antibacterial activity | VICURON PHARMACEUTICALS INC. (US) | 2006-09-21 | — | — | US | disclosed |
| US-4369322-A | WITH CYANOGEN CHLORIDE | DEGUSSA AG (DE) | 1983-01-18 | — | — | US | disclosed |