⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6695625 | 0.80 | TRPA1 (0.36) | — | |
| SCHEMBL1076726 | 0.78 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28370972 | 0.77 | ALDH1A1 (0.43) | — | |
| SCHEMBL4619141 | 0.76 | — | — | |
| SCHEMBL253402 | 0.76 | — | — | |
| Charcoal, Activated SCHEMBL9337856 | 0.74 | TRPA1 (0.32) | — | |
| SCHEMBL9309695 | 0.74 | — | — | |
| SCHEMBL2723461 | 0.74 | — | — | |
| SCHEMBL9309703 | 0.74 | — | — | |
| Acetic Acid SCHEMBL28365810 | 0.73 | CA1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5314977-A | Graft copolymers prepared by two staged aqueous emulsion polymerization | ROHM AND HAAS COMPANY (US) | 1994-05-24 | — | — | US | claimed |
| US-5247040-A | With mercapto-olefin | ROHM AND HAAS COMPANY (US) | 1993-09-21 | — | — | US | claimed |
| EP-0520668-A1 | Graft copolymers | ROHM AND HAAS COMPANY (US) | 1992-12-30 | — | — | EP | claimed |
| US-5314977-A | Graft copolymers prepared by two staged aqueous emulsion polymerization | ROHM AND HAAS COMPANY (US) | 1994-05-24 | — | — | US | disclosed |
| US-5247040-A | With mercapto-olefin | ROHM AND HAAS COMPANY (US) | 1993-09-21 | — | — | US | disclosed |
| EP-0520668-A1 | Graft copolymers | ROHM AND HAAS COMPANY (US) | 1992-12-30 | — | — | EP | disclosed |
| EP-0295789-A2 | Polyolefinic succinimide polyamine alkyl acetoacetate adduct dispersants | EXXON CHEMICAL PATENTS INC. (US) | 1988-12-21 | — | — | EP | disclosed |