⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276169 | 0.74 | — | — | |
| SCHEMBL27924710 | 0.74 | CYP2C19 (0.45) | — | |
| SCHEMBL27501002 | 0.73 | — | — | |
| SCHEMBL16626836 | 0.71 | — | — | |
| Fluoride SCHEMBL15416673 | 0.71 | — | — | |
| SCHEMBL28874012 | 0.69 | — | — | |
| SCHEMBL1498204 | 0.69 | — | — | |
| SCHEMBL15987072 | 0.69 | — | — | |
| SCHEMBL14527724 | 0.69 | — | — | |
| SCHEMBL17227553 | 0.69 | — | — |
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-9505859-B2 | Process for producing polydienes | BRIDGESTONE CORPORATION (JP) | 2016-11-29 | — | — | US | disclosed |
| CN-104039843-B | Prepare the method for polydiene | BRIDGESTONE CO.,LTD. (JP) | 2016-05-18 | — | — | CN | disclosed |
| US-20150336898-A1 | Prodrugs of Modulators of ABC Transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2015-11-26 | — | — | US | disclosed |
| EP-2780381-B1 | PROCESS FOR PRODUCING POLYDIENES | BRIDGESTONE CORP (JP) | 2015-10-07 | — | — | EP | disclosed |
| US-20140303327-A1 | Process For Producing Polydienes | BRIDGESTONE CORPORATION (JP) | 2014-10-09 | — | — | US | disclosed |
| EP-2780381-A1 | PROCESS FOR PRODUCING POLYDIENES | Bridgestone Corporation (JP) | 2014-09-24 | — | — | EP | disclosed |
| CN-104039843-A | Process For Producing Polydienes | BRIDGESTONE CORP | 2014-09-10 | — | — | CN | disclosed |
| US-20140243289-A1 | PRODRUGS OF MODULATORS OF ABC TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-28 | — | — | US | disclosed |
| US-20130303484-A1 | Prodrugs of Modulators of ABC Transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2013-11-14 | — | — | US | disclosed |
| US-8524935-B2 | Method for preparing fluoroalkanesulphinic acid esters | RHODIA OPERATIONS (FR) | 2013-09-03 | — | — | US | disclosed |
| WO-2013075085-A1 | PROCESS FOR PRODUCING POLYDIENES | BRIDGESTONE CORPORATION (JP) | 2013-05-23 | — | — | WO | disclosed |
| US-20120108836-A1 | METHOD FOR PREPARING FLUOROALKANESULPHINIC ACID ESTERS | RHODIA OPERATIONS (FR) | 2012-05-03 | — | — | US | disclosed |
| US-7919523-B2 | Inhibitors of aspartyl protease | VERTEX PHARMACEUTICALS, INC. (US) | 2011-04-05 | — | — | US | disclosed |