⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8096632 | 0.92 | GAA (0.32) | — | |
| Hydrochloric Acid SCHEMBL8087205 | 0.91 | — | — | |
| SCHEMBL8093261 | 0.88 | — | — | |
| SCHEMBL8095013 | 0.86 | — | — | |
| Perchlorate SCHEMBL8095830 | 0.84 | — | — | |
| Perchlorate SCHEMBL8086092 | 0.81 | GAA (0.34) | — | |
| Perchlorate SCHEMBL8094355 | 0.79 | GAA (0.35) | — | |
| Hydrochloric Acid SCHEMBL8095522 | 0.72 | GAA (0.36) | — | |
| Hydrochloric Acid SCHEMBL8095270 | 0.71 | GAA (0.37) | — | |
| Perchlorate SCHEMBL8086953 | 0.69 | MEN1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1061904-A1 | NANOPARTICLES, METHOD FOR PRODUCING NANOPARTICLES AND USE OF THE SAME | Aventis Research & Technologies GmbH & Co KG (DE) | 2000-12-27 | — | — | EP | disclosed |
| WO-1999047130-A1 | NANOPARTICLES, METHOD FOR PRODUCING NANOPARTICLES AND USE OF THE SAME | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 1999-09-23 | — | — | WO | disclosed |