⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30109 | 0.64 | — | — | |
| SCHEMBL211637 | 0.62 | — | — | |
| SCHEMBL28096141 | 0.62 | — | — | |
| SCHEMBL3840430 | 0.61 | — | — | |
| SCHEMBL14249642 | 0.61 | HTR2A (0.36) | — | |
| Hydrochloric Acid SCHEMBL5775167 | 0.61 | SOD3 (0.33) | — | |
| SCHEMBL20274838 | 0.61 | DRD3 (0.37) | — | |
| SCHEMBL18894613 | 0.59 | ALDH1A1 (0.50) | — | |
| SCHEMBL25219800 | 0.58 | — | — | |
| SCHEMBL928542 | 0.58 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9765054-B2 | Histone deacetylase inhibitors and compositions and methods of use thereof | CHDI FOUNDATION, INC. (US) | 2017-09-19 | — | — | US | claimed |
| US-20140163009-A1 | HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF | CHDI Foundation (US) | 2014-06-12 | — | — | US | claimed |
| EP-3336090-B1 | IRAK4 INHIBITOR AND USE THEREOF | BEIJING HANMI PHARMACEUTICAL CO LTD (CN) | 2020-07-22 | — | — | EP | disclosed |
| US-10562902-B2 | IRAK4 inhibitor and use thereof | Beijing Hanmi Pharmaceutical Co., Ltd. (CN) | 2020-02-18 | — | — | US | disclosed |
| US-20180244677-A1 | IRAK4 INHIBITOR AND USE THEREOF | Beijing Hanmi Pharmaceutical Co., Ltd. (CN) | 2018-08-30 | — | — | US | disclosed |
| EP-3336090-A1 | IRAK4 INHIBITOR AND USE THEREOF | Beijing Hanmi Pharmaceutical Co., Ltd. (CN) | 2018-06-20 | — | — | EP | disclosed |
| US-9765054-B2 | Histone deacetylase inhibitors and compositions and methods of use thereof | CHDI FOUNDATION, INC. (US) | 2017-09-19 | — | — | US | disclosed |
| US-20140163009-A1 | HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF | CHDI Foundation (US) | 2014-06-12 | — | — | US | disclosed |