⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28277416 | 0.94 | — | — | |
| Formic Acid SCHEMBL948333 | 0.94 | — | — | |
| Formic Acid SCHEMBL2558343 | 0.89 | — | — | |
| Formic Acid SCHEMBL28885386 | 0.89 | — | — | |
| Formic Acid SCHEMBL27527466 | 0.89 | — | — | |
| Formic Acid SCHEMBL27706014 | 0.89 | — | — | |
| Formic Acid SCHEMBL9435744 | 0.89 | — | — | |
| Formic Acid SCHEMBL28885383 | 0.89 | — | — | |
| Formic Acid SCHEMBL44255 | 0.82 | — | — | |
| Formic Acid SCHEMBL15260417 | 0.82 | ALDH1A1 (0.38) | — |
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-20040056232-A1 | Water-scavenging agent for an organic electroluminescent device and organic electroluminescent device comprising same | FUTABA CORPORATION (JP) | 2004-03-25 | — | — | US | disclosed |