⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL745482 | 0.90 | ALDH1A1 (0.54) | — | |
| SCHEMBL26841590 | 0.80 | ALOX5 (0.36) | — | |
| SCHEMBL19315826 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL13951088 | 0.77 | ALDH1A1 (0.45) | — | |
| SCHEMBL26468102 | 0.77 | ALDH1A1 (0.45) | — | |
| SCHEMBL20668082 | 0.77 | — | — | |
| SCHEMBL605423 | 0.75 | — | — | |
| SCHEMBL7074786 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL12304285 | 0.75 | ALDH1A1 (0.54) | — | |
| SCHEMBL13888598 | 0.73 | — | — |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11014871-B2 | “Multi-target” compounds with inhibitory activity towards histone deacetylases and tubulin polymerisation, for use in the treatment of cancer | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2021-05-25 | — | — | US | disclosed |
| US-20200332061-A1 | NITRIC OXIDE-RELEASING HYPERBRANCHED COMPOUNDS AS ANTIBACTERIAL SCAFFOLDS AND METHODS PERTAINING THERETO | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL | 2020-10-22 | — | — | US | disclosed |
| US-20190023645-A1 | \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER | UNIVERSITE PARIS-SUD (FR) | 2019-01-24 | — | — | US | disclosed |
| US-20170360740-A1 | HISTONE DEACETYLASE INHIBITORS | DANA-FARBER CANCER INSTITUTE, INC. | 2017-12-21 | — | — | US | disclosed |
| US-20170313698-A1 | POLYHETEROARL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY | KARUS THERAPEUTICS LIMITED (GB) | 2017-11-02 | — | — | US | disclosed |
| US-9724321-B2 | Histone deacetylase inhibitors | PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) | 2017-08-08 | — | — | US | disclosed |
| WO-2017118822-A2 | \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER | UNIVERSITE PARIS-SUD (FR) | 2017-07-13 | — | — | WO | disclosed |
| US-9663488-B2 | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | disclosed |
| US-9572854-B2 | Treatment of protein degradation disorders | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-02-21 | — | — | US | disclosed |
| US-9434686-B2 | Deacetylase inhibitors and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-09-06 | — | — | US | disclosed |
| US-20120004225-A1 | BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2012-01-05 | — | — | US | disclosed |
| US-20110305729-A1 | Scriptaid Isosteres and Their Use in Therapy | KARUS THERAPEUTICS LIMITED (GB) | 2011-12-15 | — | — | US | disclosed |
| US-20110305729-A1 | Scriptaid Isosteres and Their Use in Therapy | KARUS THERAPEUTICS LIMITED (GB) | 2011-12-15 | — | — | US | disclosed |
| US-8008283-B2 | Methods and compositions for the treatment of neuropsychiatric disorders | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2011-08-30 | — | — | US | disclosed |
| US-20110172303-A1 | DEACETYLASE INHIBITORS AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2011-07-14 | — | — | US | disclosed |
| US-20100056588-A1 | HISTONE DEACETYLASE INHIBITORS | DANA-FARBER CANCER INSTITUTE, INC. | 2010-03-04 | — | — | US | disclosed |
| US-20090312363-A1 | BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2009-12-17 | — | — | US | disclosed |
| US-20090215754-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS | NEUROTHERAPEUTICS PHARMA, INC. | 2009-08-27 | — | — | US | disclosed |
| US-20090209590-A1 | Histone Deacetylase and Tubulin Deacetylase Inhibitors | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2009-08-20 | — | — | US | disclosed |
| US-6713629-B2 | PLANT FUNGICIDE | NIPPON SODA CO., LTD. (JP) | 2004-03-30 | — | — | US | disclosed |