⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26456152 | 0.96 | CNR2 (0.30) | — | |
| SCHEMBL25101260 | 0.91 | — | — | |
| SCHEMBL26742610 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL21784193 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL26742748 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL21233371 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL23456878 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL26742323 | 0.80 | CNR2 (0.34) | — | |
| SCHEMBL18862706 | 0.77 | HRH2 (0.32) | — | |
| SCHEMBL20006316 | 0.77 | GGPS1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230075221-A1 | SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF | QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) | 2023-03-09 | — | — | US | disclosed |