⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14369321 | 0.88 | KLF10 (0.39) | — | |
| SCHEMBL14369320 | 0.84 | PTPN1 (0.30) | — | |
| SCHEMBL14369323 | 0.83 | KLF10 (0.38) | — | |
| SCHEMBL14369315 | 0.77 | — | — | |
| SCHEMBL14369317 | 0.77 | — | — | |
| SCHEMBL14369324 | 0.76 | — | — | |
| SCHEMBL14369311 | 0.74 | ESR1 (0.37) | — | |
| SCHEMBL12152084 | 0.73 | PPARA (0.34) | — | |
| SCHEMBL14369312 | 0.70 | ESR1 (0.34) | — | |
| SCHEMBL13231025 | 0.69 | APP (0.33) | — |
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-20070231671-A1 | Catalyst Material For Use In Fuel Cell, Catalyst Membrane, Membrane Electrode Assembly and Fuel Cell | FUJIFILM CORPORATION | 2007-10-04 | — | — | US | disclosed |