⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19248282 | 0.95 | — | — | |
| SCHEMBL26171214 | 0.87 | — | — | |
| SCHEMBL12838254 | 0.78 | — | — | |
| SCHEMBL18231243 | 0.78 | — | — | |
| SCHEMBL25457885 | 0.75 | — | — | |
| SCHEMBL18107199 | 0.75 | — | — | |
| SCHEMBL127400 | 0.75 | — | — | |
| SCHEMBL27112707 | 0.75 | — | — | |
| SCHEMBL16440243 | 0.75 | — | — | |
| SCHEMBL31667872 | 0.74 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023109540-A1 | HETEROCYCLIC COMPOUND WITH AKT KINASE INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2023-06-22 | — | — | WO | disclosed |
| WO-2023103929-A1 | FULVESTRANT DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 江苏亚虹医药科技股份有限公司 | 2023-06-15 | — | — | WO | disclosed |
| EP-3781161-B1 | BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (RORY) AND PHARMACEUTICAL USES THEREOF | JIANGSU HENGRUI PHARMACEUTICALS CO LTD (CN) | 2023-06-07 | — | — | EP | disclosed |
| WO-2022267930-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2022-12-29 | — | — | WO | disclosed |
| US-20220177479-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-06-09 | — | — | US | disclosed |
| US-11198696-B2 | Substituted xanthines as inhibitors of transient receptor potential cation channel subfamily c, member 5 activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-12-14 | — | — | US | disclosed |
| EP-3556761-B1 | PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | THE NATIONAL INSTITUTES OF PHARMACEUTICAL RES AND DEVELOPMENT NIP (CN) | 2021-03-03 | — | — | EP | disclosed |
| WO-2020156241-A1 | AROMATIC RING OR HETEROAROMATIC RING COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 中国医药研究开发中心有限公司 | 2020-08-06 | — | — | WO | disclosed |
| US-20200190093-A1 | SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-06-18 | — | — | US | disclosed |
| WO-2020057403-A1 | INDOLE DERIVATIVE AND MEDICAL APPLICATION THEREOF | 北京越之康泰生物医药科技有限公司 | 2020-03-26 | — | — | WO | disclosed |
| WO-2019062657-A1 | NITROGEN HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 北京越之康泰生物医药科技有限公司 | 2019-04-04 | — | — | WO | disclosed |