⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3053790 | 0.79 | — | — | |
| SCHEMBL23551204 | 0.78 | — | — | |
| SCHEMBL5142249 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL23855065 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL23538291 | 0.75 | — | — | |
| SCHEMBL8465171 | 0.73 | — | — | |
| SCHEMBL12532010 | 0.67 | — | — | |
| SCHEMBL11340206 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL5144229 | 0.66 | ALDH1A1 (0.50) | — | |
| SCHEMBL18196710 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015011704-A1 | INSECTICIDAL COMPOSITIONS COMPATIBLE WITH FERTILIZERS | ADAMA MAKHTESHIM LTD. (IL) | 2015-01-29 | — | — | WO | disclosed |
| EP-1843993-A1 | FERTILIZER-COMPATIBLE COMPOSITION | Bayer Cropscience LP (US) | 2007-10-17 | — | — | EP | disclosed |
| WO-2006079079-A1 | FERTILIZER-COMPATIBLE COMPOSITION | BAYER CROPSCIENCE LP (US) | 2006-07-27 | — | — | WO | disclosed |