⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31386 | 0.85 | — | — | |
| SCHEMBL26091851 | 0.79 | SMN1; SMN2 (0.68) | — | |
| SCHEMBL8519439 | 0.79 | — | — | |
| SCHEMBL11565199 | 0.79 | — | — | |
| SCHEMBL17841722 | 0.78 | TSHR (0.60) | — | |
| SCHEMBL1958588 | 0.77 | SMN1; SMN2 (0.81) | — | |
| SCHEMBL2343053 | 0.76 | TSHR (0.58) | — | |
| SCHEMBL28276624 | 0.76 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL5494155 | 0.75 | — | — | |
| SCHEMBL3773988 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001017977-A1 | 1,3,5-TRIAZINES AS HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-03-15 | — | — | WO | claimed |
| WO-2001017977-A1 | 1,3,5-TRIAZINES AS HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-03-15 | — | — | WO | disclosed |