⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6532281 | 0.74 | — | — | |
| Acrylic Acid SCHEMBL28087190 | 0.73 | — | — | |
| SCHEMBL7885653 | 0.70 | — | — | |
| SCHEMBL30979 | 0.67 | — | — | |
| Acrylic Acid SCHEMBL820245 | 0.67 | — | — | |
| SCHEMBL7062559 | 0.67 | — | — | |
| Acrylic Acid SCHEMBL9518585 | 0.67 | — | — | |
| SCHEMBL3990235 | 0.67 | — | — | |
| SCHEMBL56415 | 0.67 | — | — | |
| SCHEMBL2294948 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4120845-A | FOR VINYL OR VINYLIDENE HALIDE POLYMERS | CINCINNATI MILACRON CHEMICALS, INC. (US) | 1978-10-17 | — | — | US | disclosed |
| US-4062881-A | POLYVINYL CHLORIDE | CINCINNATI MILACRON CHEMICALS, INC. (US) | 1977-12-13 | — | — | US | disclosed |