⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2319697 | 0.85 | — | — | |
| SCHEMBL11519074 | 0.73 | — | — | |
| SCHEMBL6838986 | 0.64 | — | — | |
| Calcium Bromide SCHEMBL30888723 | 0.47 | — | — | |
| Perbromobenzene SCHEMBL27124 | 0.47 | ALDH1A1 (0.50) | — | |
| Calcium Bromide SCHEMBL20474462 | 0.43 | — | — | |
| Methane SCHEMBL23044967 | 0.35 | — | — | |
| SCHEMBL31642207 | 0.35 | — | — | |
| SCHEMBL31349671 | 0.35 | — | — | |
| SCHEMBL11567446 | 0.35 | — | — |
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 25 patents — showing the first 20. 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 |
| EP-2776404-B1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | UNIV CONNECTICUT (US) | 2016-07-06 | — | — | EP | disclosed |
| US-8853228-B2 | Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase | UNIVERSITY OF CONNECTICUT (US) | 2014-10-07 | — | — | US | disclosed |
| US-8853228-B2 | Heterocyclic analogs of propargyl-linked inhibitors of dihydrofolate reductase | UNIVERSITY OF CONNECTICUT (US) | 2014-10-07 | — | — | 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-8426432-B2 | Inhibitors of dihydrofolate reductase with antibacterial antiprotozoal, antifungal and anticancer properties | UNIVERSITY OF CONNECTICUT (US) | 2013-04-23 | — | — | US | disclosed |
| US-8426432-B2 | Inhibitors of dihydrofolate reductase with antibacterial antiprotozoal, antifungal and anticancer properties | UNIVERSITY OF CONNECTICUT (US) | 2013-04-23 | — | — | US | disclosed |
| US-20120196859-A1 | HETEROCYCLIC ANALOGS OF PROPARGYL-LINKED INHIBITORS OF DIHYDROFOLATE REDUCTASE | UNIVERSITY OF CONNECTICUT | 2012-08-02 | — | — | US | disclosed |
| WO-2009025919-A2 | 5-PROPARGYL-PYRIMIDINE DERIVATIVES AS INHIBITORS OF DIHYDROFOLATE REDUCTASE WITH ANTIBACTERIAL ANTIPROTOZOAL, ANTIFUNGAL AND ANTICANCER PROPERTIES | UNIVERSITY OF CONNECTICUT (US) | 2009-02-26 | — | — | WO | disclosed |
| US-20070197533-A1 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2007-08-23 | — | — | US | disclosed |
| US-20070197533-A1 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2007-08-23 | — | — | US | disclosed |
| US-20070197533-A1 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2007-08-23 | — | — | US | disclosed |
| US-7223759-B2 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2007-05-29 | — | — | US | disclosed |
| US-7223759-B2 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2007-05-29 | — | — | US | disclosed |
| US-7223759-B2 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds | ANADYS PHARMACEUTICALS, INC. (US) | 2007-05-29 | — | — | US | disclosed |
| US-20050239827-A1 | Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds | ANADYS PHARMACEUTICALS, INC. | 2005-10-27 | — | — | US | disclosed |
| WO-2005028467-A1 | ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS | ANADYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| US-3968137-A | POLYMER INTERMEDIATES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-07-06 | — | — | US | disclosed |