⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4960693 | 0.77 | — | — | |
| SCHEMBL6047859 | 0.72 | — | — | |
| SCHEMBL5077896 | 0.70 | TRPA1 (0.33) | — | |
| Methacrylic Acid SCHEMBL1375582 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL6190437 | 0.69 | — | — | |
| SCHEMBL628091 | 0.69 | — | — | |
| SCHEMBL8669555 | 0.68 | — | — | |
| SCHEMBL9603476 | 0.67 | — | — | |
| SCHEMBL31385 | 0.67 | — | — | |
| SCHEMBL594094 | 0.67 | — | — |
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-20080045420-A1 | Zwitterionic Polymers Comprising Betaine-Type Units And Use Of Zwitterionic Polymers In Drilling Fluids | RHODIA CHIMIE (FR) | 2008-02-21 | — | — | US | claimed |