⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6765508 | 0.94 | — | — | |
| SCHEMBL14040080 | 0.72 | — | — | |
| SCHEMBL14208341 | 0.66 | — | — | |
| SCHEMBL3254882 | 0.63 | — | — | |
| SCHEMBL13157175 | 0.60 | — | — | |
| SCHEMBL723915 | 0.60 | — | — | |
| SCHEMBL239887 | 0.54 | — | — | |
| SCHEMBL9738500 | 0.51 | — | — | |
| SCHEMBL11730161 | 0.51 | — | — | |
| SCHEMBL136351 | 0.50 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104370682-B | Preparation of a kind of methylenecyclopropanes fullerene derivate and uses thereof | STATE NANOMETER SCIENCE CENTER (CN) | 2016-04-13 | — | — | CN | disclosed |
| CN-104370670-B | A kind of cyclopropane soccerballene carboxylic acid derivative decarboxylation method used | STATE NANOMETER SCIENCE CENTER (CN) | 2016-02-03 | — | — | CN | disclosed |
| CN-104370670-A | Decarboxylation method for cyclopropane fullerene carboxylic acid derivative | NAT CT NANOSCIENCE NCNST CHINA | 2015-02-25 | — | — | CN | disclosed |
| CN-104370682-A | Methylene cyclopropane fullerene derivative preparation and use thereof | NAT CT NANOSCIENCE NCNST CHINA | 2015-02-25 | — | — | CN | disclosed |
| EP-1998775-B1 | BIS1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USES AS PHARMACEUTICALS | UNIV LIEGE (BE) | 2010-05-19 | — | — | EP | disclosed |
| US-20090093517-A1 | BIS1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USES AS PHARMACEUTICALS | UNIVERSITE DE LIEGE (BE) | 2009-04-09 | — | — | US | disclosed |
| EP-1998775-A2 | BIS1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USES AS PHARMACEUTICALS | Université de Liège (BE) | 2008-12-10 | — | — | EP | disclosed |
| WO-2007107442-A2 | BIS1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR USES AS PHARMACEUTICALS | UNIVERSITE DE LIEGE (BE) | 2007-09-27 | — | — | WO | disclosed |
| US-3936523-A | CROSSLINKED POLYETHYLENE | SIEMENS AKTIENGESELLSCHAFT (DT) | 1976-02-03 | — | — | US | disclosed |