⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19539549 | 1.00 | — | — | |
| SCHEMBL3073123 | 0.85 | — | — | |
| SCHEMBL4371499 | 0.85 | CYP2C9 (0.48) | — | |
| SCHEMBL3073118 | 0.85 | — | — | |
| SCHEMBL3073120 | 0.85 | — | — | |
| SCHEMBL2017258 | 0.80 | — | — | |
| SCHEMBL24350290 | 0.76 | — | — | |
| SCHEMBL4602653 | 0.76 | — | — | |
| SCHEMBL15828874 | 0.76 | — | — | |
| SCHEMBL11607063 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023274324-A9 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-10-26 | — | — | WO | disclosed |
| WO-2023134465-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-07-20 | — | — | WO | disclosed |
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| WO-2023001123-A1 | NEW PYRIDOPYRIMIDINE DERIVATIVE | 上海艾力斯医药科技股份有限公司 | 2023-01-26 | — | — | WO | disclosed |
| WO-2023274324-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-01-05 | — | — | WO | disclosed |
| WO-2022266015-A1 | FUSED HETEROARYL COMPOUNDS USEFUL AS ANTICANCER AGENTS | KUMQUAT BIOSCIENCES INC. (US) | 2022-12-22 | — | — | WO | disclosed |
| US-8212037-B2 | Process for production of optically active quinuclidinols | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 2012-07-03 | — | — | US | disclosed |
| US-20090216019-A1 | Process for Production of Optically Active Quinuclidinols | KANTO KAGAKU KABUSHIKI KAISHA | 2009-08-27 | — | — | US | disclosed |
| EP-1867654-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE QUINUCLIDINOL | Nagoya Industrial Science Research Institute (JP) | 2007-12-19 | — | — | EP | disclosed |