⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23664295 | 0.83 | — | — | |
| SCHEMBL23664265 | 0.83 | NPSR1 (0.31) | — | |
| SCHEMBL23664346 | 0.83 | — | — | |
| SCHEMBL23664370 | 0.81 | — | — | |
| SCHEMBL23664436 | 0.81 | — | — | |
| SCHEMBL23664310 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL23664396 | 0.81 | — | — | |
| SCHEMBL23664407 | 0.80 | — | — | |
| SCHEMBL23664290 | 0.80 | TP53 (0.32) | — | |
| SCHEMBL23664528 | 0.79 | MAPT (0.35) | — |
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-2021143677-A1 | FUSED RING SUBSTITUTED AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE THEREOF | 青岛清原化合物有限公司 | 2021-07-22 | — | — | WO | disclosed |