⚠ 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 | |
|---|---|---|---|---|
| 2-Pentanol SCHEMBL17511847 | 0.96 | TSHR (0.53) | — | |
| 2-Pentanol SCHEMBL469224 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL469268 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL14956 | 0.96 | — | — | |
| 2-Pentanol SCHEMBL31375664 | 0.93 | — | — | |
| 2-Pentanol SCHEMBL841726 | 0.93 | — | — | |
| 2-Pentanol SCHEMBL5141639 | 0.93 | — | — | |
| 2-Pentanol SCHEMBL28809354 | 0.93 | — | — | |
| 2-Pentanol SCHEMBL1782096 | 0.93 | — | — | |
| 2-Pentanol SCHEMBL11046874 | 0.93 | TSHR (0.50) | — |
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 2 patents. 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 |
| CN-103917487-A | Film-forming material, group IV metal oxide film, and vinylidene diamide complex | TOSOH CORP | 2014-07-09 | — | — | CN | disclosed |