⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1279982 | 0.84 | — | — | |
| Acrylic Acid SCHEMBL5705251 | 0.76 | — | — | |
| SCHEMBL232367 | 0.76 | — | — | |
| SCHEMBL5713281 | 0.75 | GFPT1 (0.30) | — | |
| SCHEMBL6652448 | 0.74 | MMP1 (0.38) | — | |
| SCHEMBL9782578 | 0.74 | — | — | |
| SCHEMBL535159 | 0.71 | TSHR (0.42) | — | |
| Acrylamide SCHEMBL5565115 | 0.71 | — | — | |
| SCHEMBL6558496 | 0.69 | — | — | |
| SCHEMBL6569861 | 0.69 | — | — |
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-6172010-B1 | COMPOSITION CONTAINING SURFACTANT AND WATER SOLUBLE POLYMER SELECTED SO THAT THEY ARE OPPOSITELY CHARGED | INSTITUT FRANCAIS DU PETROLE (FR) | 2001-01-09 | — | — | US | disclosed |