⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28061571 | 0.73 | EPHX2 (0.30) | — | |
| SCHEMBL27973483 | 0.73 | DRD2 (0.31) | — | |
| SCHEMBL16951433 | 0.73 | CTSS (0.34) | — | |
| SCHEMBL28061577 | 0.72 | DRD2 (0.32) | — | |
| SCHEMBL28128976 | 0.71 | MEN1 (0.35) | — | |
| SCHEMBL28793420 | 0.70 | — | — | |
| SCHEMBL21268313 | 0.70 | EPHX2 (0.32) | — | |
| SCHEMBL3542512 | 0.70 | EPHX2 (0.32) | — | |
| SCHEMBL28061562 | 0.69 | CYP1A2 (0.37) | — | |
| SCHEMBL28061549 | 0.68 | DRD2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105693645-B | Condensed heterocyclic compouds as ion channel modulators | 吉利德科学公司 | 2018-10-09 | — | — | CN | disclosed |
| CN-105693645-A | FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS | 吉利德科学公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-103649056-B | Fused heterocyclic compounds as modulators of ion channels | GILEAD SCIENCES, INC. (US) | 2016-04-27 | — | — | CN | disclosed |