⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL245971 | 1.00 | — | — | |
| SCHEMBL27639979 | 1.00 | — | — | |
| Fluoride SCHEMBL838174 | 0.82 | — | — | |
| SCHEMBL2074644 | 0.82 | — | — | |
| SCHEMBL5390194 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL6418583 | 0.82 | — | — | |
| Water SCHEMBL6421913 | 0.82 | — | — | |
| SCHEMBL8960026 | 0.82 | — | — | |
| SCHEMBL825314 | 0.82 | — | — | |
| SCHEMBL1050443 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116239619-A | Boron-containing micromolecular aldehyde hydrate and preparation method and application thereof | 高银华 | 2023-06-09 | — | — | CN | disclosed |
| US-20150097649-A1 | FERROMAGNETIC CARBON AND BORON LITHIUM BOROHYDRIDE COMPLEXES | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2015-04-09 | — | — | US | disclosed |
| CN-102584799-A | Aromatic nitrogenous six-membered ring compounds | MITSUBISHI TANABE PHARMA CORP | 2012-07-18 | — | — | CN | disclosed |
| CN-1374953-A | 6-membered aromatic ring compound containing nitrogen | TANABE SEIYAKU CO (JP) | 2002-10-16 | — | — | CN | disclosed |