⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2258298 | 0.72 | — | — | |
| SCHEMBL11849826 | 0.72 | CA1 (0.36) | — | |
| SCHEMBL11811070 | 0.71 | — | — | |
| SCHEMBL28719134 | 0.69 | — | — | |
| SCHEMBL354477 | 0.69 | — | — | |
| SCHEMBL243188 | 0.69 | — | — | |
| SCHEMBL223990 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1291205 | 0.67 | CA1 (0.44) | — | |
| SCHEMBL12006666 | 0.67 | CA1 (0.44) | — | |
| SCHEMBL354478 | 0.67 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3957627-B1 | 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | SHIONOGI & CO (JP) | 2024-06-19 | — | — | EP | disclosed |
| US-11685740-B2 | Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2023-06-27 | — | — | US | disclosed |
| CN-114853797-A | Preparation method of alpha-amino boron cyclic compound | 中山大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-114805416-A | Preparation method of propargyl alpha-amido borate compound | 中山大学 | 2022-07-29 | — | — | CN | disclosed |
| CN-110072862-B | Bicyclic nitrogen-containing heterocyclic derivative and pharmaceutical composition containing the same | 盐野义制药株式会社 | 2022-05-13 | — | — | CN | disclosed |
| EP-3957627-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | Shionogi & Co., Ltd (JP) | 2022-02-23 | — | — | EP | disclosed |
| US-20210317125-A1 | BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2021-10-14 | — | — | US | disclosed |
| US-20210292283-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2021-09-23 | — | — | US | disclosed |
| US-11124486-B2 | 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2021-09-21 | — | — | US | disclosed |
| US-11066409-B2 | Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2021-07-20 | — | — | US | disclosed |
| CN-107709299-B | 6-membered heterocyclic derivative and pharmaceutical composition containing the same | 盐野义制药株式会社 | 2021-07-16 | — | — | CN | disclosed |
| US-10774051-B2 | 6-membered heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2020-09-15 | — | — | US | disclosed |
| US-20200262796-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2020-08-20 | — | — | US | disclosed |
| US-20200048257-A1 | BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2020-02-13 | — | — | US | disclosed |
| EP-3527568-A1 | BICYCLIC NITROGENATED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | Shionogi & Co., Ltd (JP) | 2019-08-21 | — | — | EP | disclosed |
| US-20180118694-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2018-05-03 | — | — | US | disclosed |
| EP-3287443-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | Shionogi & Co., Ltd (JP) | 2018-02-28 | — | — | EP | disclosed |
| CN-107709299-A | 6 membered heterocycle derivatives and the pharmaceutical composition containing it | 盐野义制药株式会社 | 2018-02-16 | — | — | CN | disclosed |
| WO-2003106435-A1 | FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF | SANKYO COMPANY, LIMITED (JP) | 2003-12-24 | — | — | WO | disclosed |