⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27985192 | 0.80 | — | — | |
| Acetonitrile SCHEMBL27792947 | 0.75 | — | — | |
| Acetonitrile SCHEMBL1330624 | 0.74 | — | — | |
| Acetonitrile SCHEMBL1330705 | 0.74 | — | — | |
| Acetonitrile SCHEMBL10051948 | 0.74 | — | — | |
| Acetonitrile SCHEMBL10523138 | 0.74 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.74 | — | — | |
| Acetonitrile SCHEMBL10524251 | 0.74 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL2562219 | 0.74 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL1331294 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501289-B | Preparation method of the bisulfate clopidogrel in relation to substance D | 山东齐都药业有限公司 | 2019-06-14 | — | — | CN | claimed |
| CN-107501289-A | Preparation method of the bisulfate clopidogrel about material D | 山东齐都药业有限公司 | 2017-12-22 | — | — | CN | claimed |
| US-8026349-B2 | Polynucleotide synthesis labeling chemistry | DHARMACON, INC. (US) | 2011-09-27 | — | — | US | disclosed |
| US-20080009612-A1 | Novel Polynucleotide Synthesis Labeling Chemistry | DHARMACON, INC. | 2008-01-10 | — | — | US | disclosed |
| EP-1788875-A2 | NOVEL POLYNUCLEOTIDE SYNTHESIS LABELING CHEMISTRY | Dharmacon, Inc. (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006033730-A2 | NOVEL POLYNUCLEOTIDE SYNTHESIS LABELING CHEMISTRY | DHARMACON, INC. (US) | 2006-03-30 | — | — | WO | disclosed |