⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21672462 | 0.84 | — | — | |
| SCHEMBL19203376 | 0.82 | — | — | |
| SCHEMBL12836068 | 0.75 | — | — | |
| SCHEMBL27973017 | 0.74 | — | — | |
| SCHEMBL24219961 | 0.70 | — | — | |
| SCHEMBL9944423 | 0.69 | — | — | |
| SCHEMBL9963135 | 0.69 | — | — | |
| SCHEMBL19498187 | 0.66 | DRD2 (0.37) | — | |
| SCHEMBL13322632 | 0.65 | GAA (0.35) | — | |
| SCHEMBL15946750 | 0.65 | DPP4 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230023968-A1 | FUSED PYRIDINE RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | JIANGSU HENGRUI MEDICINE CO., LTD. (CN) | 2023-01-26 | — | — | US | disclosed |
| US-20220267323-A1 | SYNTHESIS OF BICYCLIC INHIBITORS OF HISTONE DEACETYLASE | ALKERMES, INC. | 2022-08-25 | — | — | US | disclosed |
| US-20170217964-A1 | AMINOTETRAHYDROPYRAN DERIVATIVE USED AS DIPEPTIDYL PEPTIDASEIV INHIBITOR | Fujian Boro Medical Co., Ltd. (CN) | 2017-08-03 | — | — | US | disclosed |