⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29010076 | 0.97 | ALDH1A1 (0.60) | — | |
| SCHEMBL991756 | 0.97 | — | — | |
| SCHEMBL27590175 | 0.94 | — | — | |
| SCHEMBL18632655 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL11424377 | 0.94 | ALDH1A1 (0.57) | — | |
| Phosphoric Acid SCHEMBL27536489 | 0.94 | ALDH1A1 (0.57) | — | |
| Hydrazine SCHEMBL28767472 | 0.92 | ALDH1A1 (0.55) | — | |
| SCHEMBL9064985 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL1477859 | 0.81 | — | — | |
| SCHEMBL11143917 | 0.81 | ALDH1A1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1861613-A | Preparation process and use of2-chloro ethyl zinc phosphonate | QINGDAO SCI & TECH UNIV (CN) | 2006-11-15 | — | — | CN | claimed |
| CN-1861613-A | Preparation process and use of2-chloro ethyl zinc phosphonate | QINGDAO SCI & TECH UNIV (CN) | 2006-11-15 | — | — | CN | disclosed |