⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL133932 | 0.83 | NPC1 (0.44) | — | |
| SCHEMBL20381814 | 0.78 | NPC1 (0.41) | — | |
| SCHEMBL603670 | 0.75 | — | — | |
| SCHEMBL11804099 | 0.73 | — | — | |
| SCHEMBL21424545 | 0.73 | — | — | |
| SCHEMBL15279118 | 0.73 | — | — | |
| SCHEMBL603669 | 0.73 | — | — | |
| SCHEMBL21928888 | 0.73 | — | — | |
| SCHEMBL5117544 | 0.73 | — | — | |
| SCHEMBL24226219 | 0.71 | NPC1 (0.38) | — |
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-20200354367-A1 | COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2020-11-12 | — | — | US | disclosed |
| US-20200316062-A1 | COMBINATIONS COMPRISING HISTONE DEACETYLASE INHIBITORS | KARUS THERAPEUTICS LIMITED (GB) | 2020-10-08 | — | — | US | disclosed |
| US-20180170876-A1 | NOVEL HISTONE DEACETYLASE INHIBITORS | KARUS THERAPEUTICS LIMITED (GB) | 2018-06-21 | — | — | US | disclosed |
| US-20180086750-A1 | NOVEL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY | KARUS THERAPEUTICS LIMITED (GB) | 2018-03-29 | — | — | US | disclosed |
| US-9862685-B2 | Histone deacetylase inhibitors | KARUS THERAPEUTICS LIMITED (GB) | 2018-01-09 | — | — | US | disclosed |
| US-20170313698-A1 | POLYHETEROARL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY | KARUS THERAPEUTICS LIMITED (GB) | 2017-11-02 | — | — | US | disclosed |
| US-20170313698-A1 | POLYHETEROARL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY | KARUS THERAPEUTICS LIMITED (GB) | 2017-11-02 | — | — | US | disclosed |
| US-20170313712-A1 | DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY | KARUS THERAPEUTICS LIMITED (GB) | 2017-11-02 | — | — | US | disclosed |
| US-20170313712-A1 | DIHETEROARYL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY | KARUS THERAPEUTICS LIMITED (GB) | 2017-11-02 | — | — | US | disclosed |
| US-9676765-B2 | Histone deacetylase inhibitors and their use in therapy | KARUS THERAPEUTICS LIMITED (GB) | 2017-06-13 | — | — | US | disclosed |
| US-20160096804-A1 | NOVEL HISTONE DEACETYLASE INHIBITORS | KARUS THERAPEUTICS LIMITED (GB) | 2016-04-07 | — | — | US | disclosed |
| US-20150361074-A1 | NOVEL HISTONE DEACETYLASE INHIBITORS AND THEIR USE IN THERAPY | KARUS THERAPEUTICS LIMITED (GB) | 2015-12-17 | — | — | US | disclosed |
| US-6713629-B2 | PLANT FUNGICIDE | NIPPON SODA CO., LTD. (JP) | 2004-03-30 | — | — | US | disclosed |