⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL144826 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL9161025 | 0.82 | — | — | |
| SCHEMBL11130262 | 0.82 | — | — | |
| SCHEMBL10774589 | 0.78 | — | — | |
| SCHEMBL24499062 | 0.77 | — | — | |
| SCHEMBL9499430 | 0.76 | — | — | |
| SCHEMBL9719954 | 0.74 | — | — | |
| SCHEMBL10777110 | 0.73 | — | — | |
| SCHEMBL7782999 | 0.73 | — | — | |
| SCHEMBL14512326 | 0.73 | — | — |
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-4259407-A | POLYMER OF HALOGENATED ALKYL ALPHA-HALOGENATED ACRYLATE | VLSI TECHNOLOGY RESEARCH ASSOCIATION (JP) | 1981-03-31 | — | — | US | disclosed |