⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL22034376 | 1.00 | — | — | |
| SCHEMBL5308881 | 0.95 | — | — | |
| SCHEMBL717 | 0.95 | — | — | |
| SCHEMBL31384629 | 0.90 | — | — | |
| Water SCHEMBL9266583 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL23297299 | 0.90 | — | — | |
| SCHEMBL9603484 | 0.90 | — | — | |
| SCHEMBL16741241 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL28232154 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL27830769 | 0.90 | — | — |
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-2776404-B1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | UNIV CONNECTICUT (US) | 2016-07-06 | — | — | EP | disclosed |
| US-20150344780-A1 | Liquid Crystal Compound, Liquid Crystal Composition and Methods for Preparing the Same, Liquid Crystal Display Panel | BOE TECHNOLOGY GROUP CO., LTD. (CN) | 2015-12-03 | — | — | US | disclosed |
| US-9193910-B1 | Liquid crystal compound, liquid crystal composition and methods for preparing the same, liquid crystal display panel | BOE TECHNOLOGY GROUP CO., LTD. (CN) | 2015-11-24 | — | — | US | disclosed |
| US-8853228-B2 | Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase | UNIVERSITY OF CONNECTICUT (US) | 2014-10-07 | — | — | US | disclosed |
| EP-2776404-A1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | University of Connecticut (US) | 2014-09-17 | — | — | EP | disclosed |
| WO-2013070620-A1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | UNIVERSITY OF CONNECTICUT (US) | 2013-05-16 | — | — | WO | disclosed |
| US-8273773-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-09-25 | — | — | US | disclosed |
| US-20120196859-A1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | UNIVERSITY OF CONNECTICUT | 2012-08-02 | — | — | US | disclosed |
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | disclosed |
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010010017-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | disclosed |
| US-20100021423-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2010-01-28 | — | — | US | disclosed |
| CN-101472937-A | Benzylphenylglucopyranoside Derivatives | DAIICHI SANKYO CO LTD (JP) | 2009-07-01 | — | — | CN | disclosed |
| CN-1217936-C | Heterocyclic compounds having sulfonic acid | EISAI CO LTD (JP) | 2005-09-07 | — | — | CN | disclosed |
| CN-1414952-A | Heterocyclic compounds having sulfonic acid | EISAI CO LTD (JP) | 2003-04-30 | — | — | CN | disclosed |
| CN-1069976-A | Hexanaphthene and tetrahydropyran derivatives | HOFFMANN LA ROCHE (CH) | 1993-03-17 | — | — | CN | disclosed |