⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL10470151 | 0.71 | — | — | |
| Bromide SCHEMBL1997527 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9343693 | 0.67 | — | — | |
| Iodide SCHEMBL1274593 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL11768012 | 0.61 | AKR1B1 (0.32) | — | |
| SCHEMBL10491542 | 0.59 | — | — | |
| SCHEMBL8775723 | 0.57 | GABRA1 (0.30) | — | |
| SCHEMBL8775727 | 0.57 | GABRA1 (0.30) | — | |
| SCHEMBL44699 | 0.57 | GABRA1 (0.48) | — | |
| Allylbenzene SCHEMBL2035927 | 0.56 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7687618-B2 | reaction of an oligonucleotide having a labile protecting group bound to a terminal hydroxy group, and a labeling compound; nucleophilic substitution reaction; lower reaction times and yields are advantageous for the user because they permit a high throughput with low technical requirements | NIMBLEGEN SYSTEMS GMBH (DE) | 2010-03-30 | — | — | US | claimed |
| EP-1939270-B1 | Demetallation of oil and hydrocarbon cuts and use of same | TOTAL RAFFINAGE MARKETING (FR) | 2010-02-17 | — | — | EP | claimed |
| EP-1939270-A1 | Demetallation of oil and hydrocarbon cuts and use of same | Total France (FR) | 2008-07-02 | — | — | EP | claimed |
| WO-2004035600-A1 | METHOD OF MANUFACTURING LABELLED OLIGONUCLEOTIDE CONJUGATES | CHEMOGENIX GMBH (DE) | 2004-04-29 | — | — | WO | claimed |
| EP-1939270-B1 | Demetallation of oil and hydrocarbon cuts and use of same | TOTAL RAFFINAGE MARKETING (FR) | 2010-02-17 | — | — | EP | disclosed |
| EP-1939270-A1 | Demetallation of oil and hydrocarbon cuts and use of same | Total France (FR) | 2008-07-02 | — | — | EP | disclosed |
| EP-0929553-B1 | PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NOVARTIS AG (CH) | 2005-03-16 | — | — | EP | disclosed |
| US-6555529-B1 | Administering (4-methylthiophenylthio)methane-1,1-bisphosphonic acid for treatment of bone marrow disorders such as inflammatory disease, myeloma, anemia, and leukemia | TORAY INDUSTRIES, INC. (JP) | 2003-04-29 | — | — | US | disclosed |
| EP-0998934-A1 | REMEDIES FOR INTRAMEDULLARY DISEASES | TORAY INDUSTRIES, INC. (JP) | 2000-05-10 | — | — | EP | disclosed |
| EP-0977754-A1 | WRITABLE AND ERASABLE HIGH-DENSITY OPTICAL STORAGE MEDIA | Ciba SC Holding AG (CH) | 2000-02-09 | — | — | EP | disclosed |
| EP-0929553-A1 | PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | Novartis AG (CH) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998049164-A1 | WRITABLE AND ERASABLE HIGH-DENSITY OPTICAL STORAGE MEDIA | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1998-11-05 | — | — | WO | disclosed |
| WO-1998014450-A1 | PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NOVARTIS AG (CH) | 1998-04-09 | — | — | WO | disclosed |