⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9622595 | 0.78 | — | — | |
| SCHEMBL7058771 | 0.74 | — | — | |
| SCHEMBL6656712 | 0.73 | — | — | |
| SCHEMBL20457 | 0.69 | — | — | |
| SCHEMBL14301050 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28914936 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL6738777 | 0.67 | — | — | |
| SCHEMBL28411184 | 0.67 | — | — | |
| SCHEMBL8348701 | 0.65 | — | — | |
| SCHEMBL7693028 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-57175155-A | — | — | None | — | — | JP | disclosed |
| JP-S57175155-A | ALPHA-ISOCYANOACRYLIC AMIDE DERIVATIVE, ITS PREPARATION AND HERBICIDE | TANABE SEIYAKU CO LTD | 1982-10-28 | — | — | JP | disclosed |