⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL29101715 | 0.77 | — | — | |
| SCHEMBL41707 | 0.77 | — | — | |
| SCHEMBL28078236 | 0.77 | MEN1 (0.35) | — | |
| SCHEMBL341190 | 0.75 | — | — | |
| Hydrogen Sulfide SCHEMBL7637414 | 0.74 | MEN1 (0.33) | — | |
| Water SCHEMBL28162022 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL7111250 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL15265336 | 0.74 | — | — | |
| SCHEMBL27839970 | 0.74 | — | — | |
| Ethylene SCHEMBL27563880 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109071258-B | Inorganic oxide fine particles having amphiphilic organosilane compound bonded thereto, organic solvent dispersion liquid thereof, and composition for forming coating film | 日产化学工业株式会社 | 2020-12-29 | — | — | CN | disclosed |