⚠ 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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL8971064 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL9330576 | 0.82 | TSHR (0.40) | — | |
| SCHEMBL9410944 | 0.81 | — | — | |
| SCHEMBL7761321 | 0.81 | THRB (0.41) | — | |
| Acrylic Acid Ethyl Ester SCHEMBL11122421 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL9336155 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL4914458 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL9321691 | 0.77 | THRB (0.33) | — | |
| SCHEMBL9513361 | 0.76 | — | — | |
| SCHEMBL5857445 | 0.76 | HCAR2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0615801-B1 | Method of producing support for planographic printing plate | FUJI PHOTO FILM CO LTD (JP) | 1999-06-02 | — | — | EP | disclosed |