⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1769154 | 0.76 | — | — | |
| Oxalic Acid SCHEMBL11805219 | 0.68 | CA1 (0.57) | — | |
| SCHEMBL8460568 | 0.68 | — | — | |
| SCHEMBL30492098 | 0.68 | — | — | |
| Oxalic Acid SCHEMBL11213178 | 0.68 | CA1 (0.57) | — | |
| Oxalic Acid SCHEMBL11805656 | 0.68 | CA1 (0.57) | — | |
| Oxalic Acid SCHEMBL736262 | 0.68 | — | — | |
| Oxalic Acid SCHEMBL776 | 0.68 | — | — | |
| Oxalic Acid SCHEMBL8432824 | 0.68 | — | — | |
| Oxalic Acid SCHEMBL11211823 | 0.68 | CA1 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6019959-A | Oligomeric compounds that contain perfluoroalkyl, process for their production, and their use in NMR diagnosis | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-02-01 | — | — | US | disclosed |