⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2873513 | 0.69 | — | — | |
| SCHEMBL1887298 | 0.65 | — | — | |
| SCHEMBL35189 | 0.65 | — | — | |
| SCHEMBL123424 | 0.61 | — | — | |
| SCHEMBL438739 | 0.59 | — | — | |
| SCHEMBL977424 | 0.56 | — | — | |
| Alloxan SCHEMBL64547 | 0.56 | MAPT (1.00) | — | |
| SCHEMBL654468 | 0.56 | — | — | |
| SCHEMBL962989 | 0.54 | — | — | |
| Alloxan SCHEMBL20262969 | 0.54 | KDM4E (0.92) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1555290-B1 | Dental materials based on ROMP-composites | IVOCLAR VIVADENT AG (LI) | 2007-06-27 | — | — | EP | claimed |
| EP-1025830-A2 | Dental material with low shrinkage level | IVOCLAR AG (LI) | 2000-08-09 | — | — | EP | claimed |
| US-8969510-B2 | Fluorinated supramolecular polymers | SUPRAPOLIX B.V. (NL) | 2015-03-03 | — | — | US | disclosed |
| US-8541611-B2 | Bifunctional phenyl iso(thio)cyanates, processes and intermediates products for their preparation | BASF AKTIENGESELLSCHAFT (DE) | 2013-09-24 | — | — | US | disclosed |
| US-20120271049-A1 | BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 2012-10-25 | — | — | US | disclosed |
| US-8232421-B2 | Bifunctional phenyl ISO (THIO) cyanates, processes and intermediates for their preparation | BASF AKTIENGESELLSCHAFT (DE) | 2012-07-31 | — | — | US | disclosed |
| US-20120136120-A1 | FLUORINATED SUPRAMOLECULAR POLYMERS | SUPRAPOLIX B.V. | 2012-05-31 | — | — | US | disclosed |
| EP-2457940-A1 | Fluorinated supramolecular polymers | SupraPolix B.V. (NL) | 2012-05-30 | — | — | EP | disclosed |
| US-20110009640-A1 | BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 2011-01-13 | — | — | US | disclosed |
| US-7820846-B2 | by phosgenation of an aminobenzoylsulfamic acid amide intermediate; prepared from a p-nitrobenzoyl chloride or benzoate and a sulfamic acid amide and reducing the nitrobenzoylsulfamic acid amide; isocyanates are crop protection agents | BASF AKTIENGESELLSCHAFT (DE) | 2010-10-26 | — | — | US | disclosed |
| US-7691919-B2 | Dental materials based on ROMP composites | IVOCLAR VIVADENT AG (LI) | 2010-04-06 | — | — | US | disclosed |
| EP-1555290-B1 | Dental materials based on ROMP-composites | IVOCLAR VIVADENT AG (LI) | 2007-06-27 | — | — | EP | disclosed |
| US-20060004220-A1 | Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation | BASF AKTIENGESELLSCHAFT (DE) | 2006-01-05 | — | — | US | disclosed |
| US-20050159510-A1 | Dental materials based on ROMP composites | IVOCLAR VIVADENT AG (LI) | 2005-07-21 | — | — | US | disclosed |
| EP-1555290-A1 | Dental materials based on ROMP-composites | Ivoclar Vivadent AG (LI) | 2005-07-20 | — | — | EP | disclosed |
| EP-1025830-A2 | Dental material with low shrinkage level | IVOCLAR AG (LI) | 2000-08-09 | — | — | EP | disclosed |