⚠ 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL27491933 | 0.97 | ALDH1A1 (0.40) | — | |
| Propanol SCHEMBL27720980 | 0.96 | — | — | |
| Propanol SCHEMBL27720977 | 0.93 | ALDH1A1 (0.43) | — | |
| Acetic Acid SCHEMBL7868071 | 0.88 | FFAR3 (0.39) | — | |
| Tert-Butanol SCHEMBL27721001 | 0.84 | TSHR (0.35) | — | |
| Butyl Alcohol SCHEMBL27741846 | 0.84 | ALDH1A1 (0.65) | — | |
| Butyl Alcohol SCHEMBL27256510 | 0.84 | ALDH1A1 (0.65) | — | |
| Isobutanol SCHEMBL27741855 | 0.82 | TSHR (0.50) | — | |
| Propanol SCHEMBL1053367 | 0.81 | — | — | |
| Acetaldehyde SCHEMBL662140 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101291901-A | Polyvinyl ether compound | IDEMITSU KOSAN CO (JP) | 2008-10-22 | — | — | CN | disclosed |