⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1664586 | 0.71 | — | — | |
| SCHEMBL3768554 | 0.65 | — | — | |
| SCHEMBL3960685 | 0.62 | — | — | |
| SCHEMBL2299297 | 0.60 | — | — | |
| SCHEMBL13083134 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL27940414 | 0.58 | — | — | |
| Formic Acid Methyl Ester SCHEMBL27748266 | 0.58 | — | — | |
| Propane SCHEMBL28832596 | 0.58 | — | — | |
| SCHEMBL1155848 | 0.58 | — | — | |
| SCHEMBL4573421 | 0.56 | ALDH1A1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104870430-A | Herbicidally active cyclic dione compounds substituted by phenyl groups having alkynyl-containing substituents or derivatives thereof | SYNGENTA LTD | 2015-08-26 | — | — | CN | disclosed |
| WO-2009038031-A1 | BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-03-26 | — | — | WO | disclosed |
| WO-2009038006-A1 | RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-03-26 | — | — | WO | disclosed |
| CN-86103619-A | The preparation method of the bicyclic pyrazolidinones that 7-replaces | — | 1986-10-29 | — | — | CN | disclosed |