⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1104190 | 0.85 | ALDH1A1 (0.70) | — | |
| SCHEMBL13240158 | 0.83 | GAA (0.59) | — | |
| SCHEMBL12232725 | 0.82 | GAA (0.53) | — | |
| SCHEMBL8445026 | 0.79 | — | — | |
| SCHEMBL8443575 | 0.79 | — | — | |
| SCHEMBL425172 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL10977302 | 0.77 | GAA (0.53) | — | |
| SCHEMBL8523619 | 0.77 | ALDH1A1 (0.64) | — | |
| SCHEMBL4822631 | 0.76 | ALDH1A1 (0.59) | — | |
| SCHEMBL3280546 | 0.76 | — | — |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | disclosed |
| US-20160244435-A1 | EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-08-25 | — | — | US | disclosed |
| US-RE45686-E1 | Disperse dyes, their preparation and their use | DYSTAR COLOURS DISTRIBUTION GMBH (DE) | 2015-09-29 | — | — | US | disclosed |
| US-RE45686-E1 | Disperse dyes, their preparation and their use | DYSTAR COLOURS DISTRIBUTION GMBH (DE) | 2015-09-29 | — | — | US | disclosed |
| US-20150111853-A1 | CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE | MERCK SHARP & DOHME CORP. | 2015-04-23 | — | — | US | disclosed |
| US-9006421-B2 | Cephalosporin compositions and methods of manufacture | CUBIST PHARMACEUTICALS, INC. (US) | 2015-04-14 | — | — | US | disclosed |
| WO-2014205414-A1 | EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-12-24 | — | — | WO | disclosed |
| US-20140274958-A1 | CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE | MERCK SHARP & DOHME LLC | 2014-09-18 | — | — | US | disclosed |
| US-20140274999-A1 | CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE | MERCK SHARP & DOHME CORP. | 2014-09-18 | — | — | US | disclosed |
| US-8383855-B2 | Histone deacetylase inhibitors | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-02-26 | — | — | US | disclosed |
| US-20080227785-A1 | 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2008-09-18 | — | — | US | disclosed |
| US-7375222-B2 | 2,4,6-Triamino-1,3,5-triazine derivative | ASTELLAS PHARMA INC. (JP) | 2008-05-20 | — | — | US | disclosed |
| US-7375222-B2 | 2,4,6-Triamino-1,3,5-triazine derivative | ASTELLAS PHARMA INC. (JP) | 2008-05-20 | — | — | US | disclosed |
| WO-2008049758-A2 | DISPERSE DYES, THEIR PREPARATION AND THEIR USE | DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) | 2008-05-02 | — | — | WO | disclosed |
| US-7244853-B2 | Dioxanes and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2007-07-17 | — | — | US | disclosed |
| US-20070154948-A1 | Novel antibacterial agents | THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC | 2007-07-05 | — | — | US | disclosed |
| US-20070154948-A1 | Novel antibacterial agents | THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC | 2007-07-05 | — | — | US | disclosed |
| US-20070134729-A1 | Novel antibacterial agents | THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC | 2007-06-14 | — | — | US | disclosed |
| US-20070134729-A1 | Novel antibacterial agents | THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC | 2007-06-14 | — | — | US | disclosed |
| US-20040072849-A1 | Dioxanes and uses thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-04-15 | — | — | US | disclosed |