⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2471546 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL3536872 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL19181403 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL3355050 | 0.72 | DGAT1 (0.33) | — | |
| SCHEMBL1370917 | 0.72 | — | — | |
| SCHEMBL9036175 | 0.72 | GAA (0.50) | — | |
| SCHEMBL5836218 | 0.69 | — | — | |
| SCHEMBL28779486 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL31619417 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL23391871 | 0.67 | MGAM (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591217-B | Preparation method of 6, 6-dimethyl-3-azabicyclo- [3.1.0] -hexane and lactone intermediate thereof | 浙江新和成股份有限公司 | 2024-04-16 | — | — | CN | disclosed |
| US-20230373900-A1 | CYCLOPROPENIUM COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE | FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) | 2023-11-23 | — | — | US | disclosed |
| US-11673901-B2 | Polycyclic compounds as allosteric SHP2 inhibitors | Revolution Medicines, Inc. (US) | 2023-06-13 | — | — | US | disclosed |
| CN-114591217-A | Process for the preparation of 6, 6-dimethyl-3-azabicyclo- [3.1.0] -hexane and lactone intermediates thereof | 浙江新和成股份有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-111100045-A | Synthetic method of alkenyl sulfone compound | 中国科学技术大学 | 2020-05-05 | — | — | CN | disclosed |
| US-8975428-B2 | Dirhodium catalyst compositions and synthetic processes related thereto | EMORY UNIVERSITY (US) | 2015-03-10 | — | — | US | disclosed |
| US-20140155643-A1 | DIRHODIUM CATALYST COMPOSITIONS AND SYNTHETIC PROCESSES RELATED THERETO | EMORY UNIVERSITY (US) | 2014-06-05 | — | — | US | disclosed |