⚠ 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 | |
|---|---|---|---|---|
| Valeric Acid SCHEMBL30381737 | 0.97 | — | — | |
| Valeric Acid SCHEMBL1331209 | 0.97 | — | — | |
| Valeric Acid SCHEMBL30442925 | 0.97 | — | — | |
| Valeric Acid SCHEMBL5886 | 0.97 | — | — | |
| Valeric Acid SCHEMBL1333240 | 0.97 | — | — | |
| Valeric Acid SCHEMBL2154370 | 0.97 | AKR1B1 (0.82) | — | |
| Valeric Acid SCHEMBL1331662 | 0.97 | — | — | |
| Valeric Acid SCHEMBL23121555 | 0.94 | — | — | |
| Valeric Acid SCHEMBL10941194 | 0.94 | — | — | |
| Valeric Acid SCHEMBL782910 | 0.94 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108373478-A | The fluorine boron gleaming optical compounds and its preparation method and application of a kind of taurine substitution | 湖北远大生命科学与技术有限责任公司 | 2018-08-07 | — | — | CN | claimed |
| CN-108117505-A | A kind of preparation method for synthesizing diphenyl ether imidodicarbonic diamide | 杜庶铭 | 2018-06-05 | — | — | CN | claimed |
| CN-106316914-A | Method for preparing 3-alkenylpyrrole derivatives | 中国科学院大连化学物理研究所 | 2017-01-11 | — | — | CN | claimed |
| CN-104703960-A | Fluorine-containing ester and preparation method thereof | DU PONT | 2015-06-10 | — | — | CN | claimed |
| CN-100390251-C | Preparation of curcas biological diesel oil by solid phase catalytic method | UNIV GUIZHOU (CN) | 2008-05-28 | — | — | CN | claimed |
| CN-1824735-A | Preparation of curcas biological diesel oil by solid phase catalytic method | UNIV GUIZHOU (CN) | 2006-08-30 | — | — | CN | claimed |
| CN-106661315-B | Poly carbonate resin composition | 帝人株式会社 | 2018-11-13 | — | — | CN | disclosed |
| CN-108291016-A | Polycarbonate resin, its manufacturing method and film | 帝人株式会社 | 2018-07-17 | — | — | CN | disclosed |
| CN-108117505-A | A kind of preparation method for synthesizing diphenyl ether imidodicarbonic diamide | 杜庶铭 | 2018-06-05 | — | — | CN | disclosed |
| CN-104661994-B | Compound | 光治疗ASA公司 | 2017-08-08 | — | — | CN | disclosed |
| CN-106661315-A | Polycarbonate resin composition | 帝人株式会社 | 2017-05-10 | — | — | CN | disclosed |
| CN-106450014-A | Mazarine organic electroluminescent device and manufacturing method thereof | 四川大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-105377848-A | Prodrug derivatives of substituted triazolopyridines | Bayer Pharma AG | 2016-03-02 | — | — | CN | disclosed |
| CN-100390251-C | Preparation of curcas biological diesel oil by solid phase catalytic method | UNIV GUIZHOU (CN) | 2008-05-28 | — | — | CN | disclosed |
| CN-1824735-A | Preparation of curcas biological diesel oil by solid phase catalytic method | UNIV GUIZHOU (CN) | 2006-08-30 | — | — | CN | disclosed |