⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11406677 | 0.85 | ALDH1A1 (0.40) | — | |
| SCHEMBL30091 | 0.85 | — | — | |
| Hypochlorous Acid SCHEMBL28658135 | 0.82 | — | — | |
| SCHEMBL29278285 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL15210 | 0.80 | — | — | |
| Fluoride SCHEMBL151218 | 0.80 | — | — | |
| SCHEMBL29278287 | 0.80 | — | — | |
| Phosphine SCHEMBL28673109 | 0.80 | — | — | |
| SCHEMBL30491080 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL496907 | 0.80 | ALDH1A1 (0.36) | — |
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-105906657-A | Preparation method for anti-avian influenza drug reducer triethyl silicane | 河南豫辰药业股份有限公司 | 2016-08-31 | — | — | CN | disclosed |