⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL147783 | 0.74 | — | — | |
| SCHEMBL10408063 | 0.73 | — | — | |
| SCHEMBL14266240 | 0.73 | — | — | |
| SCHEMBL1880040 | 0.70 | — | — | |
| SCHEMBL12432143 | 0.67 | — | — | |
| SCHEMBL16604659 | 0.67 | — | — | |
| SCHEMBL14254727 | 0.66 | — | — | |
| SCHEMBL16892595 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL1884801 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL5397791 | 0.64 | — | — |
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-20210179745-A1 | (METH)ACRYLATE AND USE THEREOF | MITSUI CHEMICALS, INC. (JP) | 2021-06-17 | — | — | US | disclosed |
| EP-3719048-A1 | (METH)ACRYLATE AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2020-10-07 | — | — | EP | disclosed |