⚠ 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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL27357043 | 0.96 | — | — | |
| Butyl Alcohol SCHEMBL7574048 | 0.96 | ALDH1A1 (0.92) | — | |
| Butyl Alcohol SCHEMBL9762050 | 0.96 | — | — | |
| Butyl Alcohol SCHEMBL28878781 | 0.92 | ALDH1A1 (0.85) | — | |
| Butyl Alcohol SCHEMBL15543493 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL29688387 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL29688432 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL30877879 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL9725477 | 0.92 | ALDH1A1 (1.00) | — | |
| Butyl Alcohol SCHEMBL2263798 | 0.92 | ALDH1A1 (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100533838-C | Method of manufacturing an electrochemical energy source, electrochemical energy source thus obtained and electronic device | KONINKL PHILIPS ELECTRONICS NV (NL) | 2009-08-26 | — | — | CN | claimed |
| CN-101133512-A | Method of manufacturing an electrochemical energy source, electrochemical energy source thus obtained and electronic device | KONINKL PHILIPS ELECTRONICS NV (NL) | 2008-02-27 | — | — | CN | claimed |
| CN-100533838-C | Method of manufacturing an electrochemical energy source, electrochemical energy source thus obtained and electronic device | KONINKL PHILIPS ELECTRONICS NV (NL) | 2009-08-26 | — | — | CN | disclosed |
| CN-101133512-A | Method of manufacturing an electrochemical energy source, electrochemical energy source thus obtained and electronic device | KONINKL PHILIPS ELECTRONICS NV (NL) | 2008-02-27 | — | — | CN | disclosed |