⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7116897 | 0.72 | CA12 (0.42) | — | |
| SCHEMBL4355947 | 0.72 | — | — | |
| SCHEMBL15267737 | 0.72 | EHMT2 (0.36) | — | |
| Acetic Acid SCHEMBL27573497 | 0.69 | FFAR3 (0.44) | — | |
| Benzene SCHEMBL4101064 | 0.67 | LMNA (0.45) | — | |
| SCHEMBL25424890 | 0.67 | CA12 (0.44) | — | |
| SCHEMBL42300 | 0.67 | — | — | |
| SCHEMBL8440401 | 0.67 | — | — | |
| SCHEMBL7695080 | 0.67 | — | — | |
| SCHEMBL1848524 | 0.67 | — | — |
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-103189350-B | Trans-2-decenoic acid derivative and drug containing same | NAGOYA INDUSTRIAL SCIENCE RESRARCH INSTITUTE (JP) | 2016-04-27 | — | — | CN | disclosed |
| CN-103562176-A | Ethers with monocationic polyhydroxyl functionality | DOW GLOBAL TECHNOLOGIES LLC | 2014-02-05 | — | — | CN | disclosed |
| CN-103562175-A | Dicationic ethers with polyhydroxyl functionality | DOW GLOBAL TECHNOLOGIES LLC | 2014-02-05 | — | — | CN | disclosed |
| CN-103189350-A | Trans-2-decenoic acid derivative and drug containing same | NAGOYA IND SCIENCE RES INST | 2013-07-03 | — | — | CN | disclosed |