⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12419021 | 1.00 | — | — | |
| SCHEMBL21311422 | 0.80 | — | — | |
| SCHEMBL26668620 | 0.79 | — | — | |
| SCHEMBL26668609 | 0.79 | — | — | |
| SCHEMBL7102573 | 0.78 | DPP4 (0.69) | — | |
| SCHEMBL21311207 | 0.78 | — | — | |
| SCHEMBL20711231 | 0.76 | DPP4 (0.60) | — | |
| SCHEMBL20097181 | 0.76 | — | — | |
| SCHEMBL12379200 | 0.76 | IMPDH2 (0.62) | — | |
| SCHEMBL20711215 | 0.75 | DPP4 (0.58) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7989430-B2 | Antibacterial agents | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2011-08-02 | — | — | US | disclosed |
| US-20080293666-A1 | Antibacterial Agents | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2008-11-27 | — | — | US | disclosed |