⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27994243 | 0.97 | CA1 (0.42) | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL10897517 | 0.88 | CA1 (0.48) | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL28170893 | 0.85 | CA1 (0.56) | — | |
| SCHEMBL27498902 | 0.85 | — | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL1769 | 0.85 | — | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL28384057 | 0.82 | CA2 (0.48) | — | |
| SCHEMBL31403385 | 0.82 | — | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL29104224 | 0.82 | CA1 (0.53) | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL4284879 | 0.82 | CA1 (0.53) | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL20853617 | 0.82 | CA1 (0.53) | — |
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-105189589-A | Polymers prepared from alkoxylated polyamines | AKZO NOBEL CHEMICALS INT BV | 2015-12-23 | — | — | CN | disclosed |