⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28073222 | 0.90 | — | — | |
| Water SCHEMBL28254801 | 0.87 | TSHR (0.62) | — | |
| Water SCHEMBL11344535 | 0.87 | — | — | |
| SCHEMBL22628 | 0.87 | — | — | |
| SCHEMBL28208107 | 0.87 | TSHR (0.62) | — | |
| Butyl Alcohol SCHEMBL11278998 | 0.86 | ALDH1A1 (0.58) | — | |
| Bromide SCHEMBL6543945 | 0.83 | — | — | |
| Propane SCHEMBL8012439 | 0.83 | — | — | |
| Hydrogen Sulfide SCHEMBL29012031 | 0.83 | — | — | |
| SCHEMBL32674549 | 0.83 | — | — |
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-6139998-A | OPTICAL ELEMENTS WITH POLYMER RESIN ON SUBSTRATES INNER SURFACE OF THE CYLINDRICAL SUBSTRATE IS NOT MORE THAN 0.5 .MU.M. THE ELECTROPHOTOGRAPHIC PHOTORECEPTOR EMPLOYING THE SUBSTRATE IS | KONICA CORPORATION (JP) | 2000-10-31 | — | — | US | disclosed |