⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5317265 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL10825002 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL134386 | 0.81 | CYP2D6 (0.35) | — | |
| SCHEMBL8026442 | 0.81 | CYP2D6 (0.35) | — | |
| SCHEMBL6653044 | 0.81 | CYP2D6 (0.35) | — | |
| SCHEMBL374910 | 0.80 | — | — | |
| SCHEMBL7522645 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL537004 | 0.80 | — | — | |
| SCHEMBL2616622 | 0.80 | — | — | |
| SCHEMBL18752206 | 0.80 | — | — |
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-0741150-A1 | A process for making a polymer of acrylonitrile, methacrylonitrile and olefinically unsaturated monomers | THE STANDARD OIL COMPANY (US) | 1996-11-06 | — | — | EP | claimed |
| CN-102167682-A | (Meth)acrylic ethidene urethyl ester monomer and preparation method thereof | Guangdong yinyang resin co ltd | 2011-08-31 | — | — | CN | disclosed |
| CN-1310360-A | Originals for lithographic printing plate | FUJI PHOTO FILM CO LTD (JP) | 2001-08-29 | — | — | CN | disclosed |