⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL641208 | 0.73 | FDPS (0.41) | — | |
| SCHEMBL27863382 | 0.73 | NFKB1 (0.37) | — | |
| SCHEMBL638211 | 0.72 | — | — | |
| SCHEMBL3689549 | 0.71 | DNM1 (0.40) | — | |
| SCHEMBL3073022 | 0.71 | SMPD1 (0.43) | — | |
| SCHEMBL27726422 | 0.71 | DNM1 (0.40) | — | |
| SCHEMBL4260580 | 0.71 | SMPD1 (0.43) | — | |
| SCHEMBL703754 | 0.71 | — | — | |
| SCHEMBL641726 | 0.71 | SMPD1 (0.43) | — | |
| SCHEMBL28131065 | 0.71 | DNM1 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2014659-A1 | New hybrid compounds of nucleobases and organic redox molecules and their use | Universität Osnabrück (DE) | 2009-01-14 | — | — | EP | disclosed |