⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6552363 | 0.83 | — | — | |
| Methacrylic Acid SCHEMBL6553326 | 0.82 | — | — | |
| Methacrylic Acid SCHEMBL6552361 | 0.79 | — | — | |
| Methacrylic Acid SCHEMBL6553100 | 0.77 | THRA (0.31) | — | |
| Methacrylic Acid SCHEMBL6553304 | 0.76 | ADRA2A (0.35) | — | |
| Methacrylic Acid SCHEMBL6553622 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL25195137 | 0.72 | NOS3 (0.40) | — | |
| Methacrylic Acid SCHEMBL6553228 | 0.69 | KCNN4 (0.39) | — | |
| Methacrylic Acid SCHEMBL28174009 | 0.69 | KDM4E (0.31) | — | |
| Propionic Acid SCHEMBL15412712 | 0.66 | FFAR3 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0978391-B1 | Coating agent for ink jet recording materials and ink jet recording material | ESPRIT CHEMICAL CO (US) | 2004-02-11 | — | — | EP | disclosed |
| US-6548182-B1 | Water-soluble polymer with 30.1-95 wt% of carboxyl groups and a crosslinking agent | ESPRIT CHEMICAL CO. | 2003-04-15 | — | — | US | disclosed |
| EP-0978391-A1 | Coating agent for ink jet recording materials and ink jet recording material | Esprit Chemical Co. (US) | 2000-02-09 | — | — | EP | disclosed |