⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL515925 | 0.92 | — | — | |
| Ethyl Chloride SCHEMBL5488694 | 0.86 | — | — | |
| Sulfuric Acid SCHEMBL10948051 | 0.85 | — | — | |
| SCHEMBL516502 | 0.76 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL27790657 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL6846231 | 0.73 | LMNA (0.32) | — | |
| SCHEMBL1325491 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL27766915 | 0.73 | CES1 (0.38) | — | |
| SCHEMBL184943 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL220872 | 0.73 | KDM6B (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4522968-A | Process for the preparation of water-in-water secondary dispersions of water-soluble polymers and their utilization as flocculants | BASF AKTIENGESELLSCHAFT (DE) | 1985-06-11 | — | — | US | disclosed |