⚠ 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 | |
|---|---|---|---|---|
| 3-Pentanol SCHEMBL5341 | 0.95 | — | — | |
| 3-Pentanol SCHEMBL28041382 | 0.91 | — | — | |
| 3-Pentanol SCHEMBL27344731 | 0.91 | — | — | |
| 3-Pentanol SCHEMBL27981940 | 0.91 | — | — | |
| 3-Pentanol SCHEMBL7547369 | 0.91 | — | — | |
| 3-Pentanol SCHEMBL27988997 | 0.91 | — | — | |
| 3-Pentanol SCHEMBL28243341 | 0.91 | — | — | |
| 3-Pentanol SCHEMBL27320978 | 0.91 | — | — | |
| 3-Pentanol SCHEMBL3183384 | 0.91 | — | — | |
| 3-Pentanol SCHEMBL27974680 | 0.91 | — | — |
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-105001254-A | Manufacturing methods for film-forming material, group IV metal oxide film | TOSOH CORP | 2015-10-28 | — | — | CN | disclosed |