⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2709596 | 0.79 | — | — | |
| SCHEMBL2685349 | 0.79 | — | — | |
| SCHEMBL396027 | 0.79 | — | — | |
| Trimethylammonium SCHEMBL9465881 | 0.76 | CA1 (0.35) | — | |
| Methacrylic Acid SCHEMBL4059537 | 0.73 | TSHR (0.55) | — | |
| Methacrylic Acid SCHEMBL3851761 | 0.72 | GABRR1 (0.38) | — | |
| Methacrylic Acid SCHEMBL3851758 | 0.72 | TDP1 (0.36) | — | |
| Methacrylic Acid SCHEMBL11232963 | 0.71 | TDP1 (0.36) | — | |
| Methacrylic Acid SCHEMBL27422086 | 0.70 | TDP1 (0.44) | — | |
| Methacrylic Acid SCHEMBL28096441 | 0.70 | — | — |
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-1473291-B1 | PROCESS FOR PRODUCING LACTONE | MITSUBISHI RAYON CO (JP) | 2008-08-13 | — | — | EP | disclosed |