⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25090320 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL24091632 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL24035086 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL27280967 | 0.76 | — | — | |
| SCHEMBL24865886 | 0.73 | — | — | |
| SCHEMBL27443334 | 0.73 | — | — | |
| SCHEMBL24091671 | 0.73 | — | — | |
| SCHEMBL17897278 | 0.73 | HTR1A (0.31) | — | |
| SCHEMBL15859013 | 0.71 | — | — | |
| SCHEMBL25761956 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020156319-A1 | N-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 浙江海正药业股份有限公司 | 2020-08-06 | — | — | WO | disclosed |