⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6594425 | 0.69 | TRPV4 (0.47) | — | |
| SCHEMBL5848936 | 0.68 | CYP3A4 (0.40) | — | |
| SCHEMBL8190834 | 0.68 | NLRP3 (0.41) | — | |
| SCHEMBL8746381 | 0.64 | — | — | |
| SCHEMBL8194251 | 0.64 | POLB (0.47) | — | |
| SCHEMBL6573160 | 0.63 | TRPV4 (0.36) | — | |
| SCHEMBL9571700 | 0.61 | CA12 (0.42) | — | |
| SCHEMBL6833317 | 0.60 | BCAT2 (0.46) | — | |
| SCHEMBL7682549 | 0.60 | GAA (0.41) | — | |
| SCHEMBL24890732 | 0.59 | CA1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0757680-B1 | N-CYANOARYL NITROGEN HETEROCYCLES | BAYER CROPSCIENCE AG (DE) | 2003-07-02 | — | — | EP | disclosed |
| US-5962372-A | INSECTICIDES, HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-05 | — | — | US | disclosed |
| US-5759957-A | HERBICIDES, INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-02 | — | — | US | disclosed |