⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6104024 | 0.56 | — | — | |
| SCHEMBL13720753 | 0.56 | — | — | |
| SCHEMBL22421236 | 0.55 | — | — | |
| SCHEMBL15116990 | 0.54 | — | — | |
| SCHEMBL24836835 | 0.53 | — | — | |
| SCHEMBL21948007 | 0.53 | — | — | |
| SCHEMBL22844412 | 0.53 | — | — | |
| SCHEMBL3117258 | 0.52 | — | — | |
| SCHEMBL11957633 | 0.52 | — | — | |
| SCHEMBL12848972 | 0.50 | — | — |
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-2172462-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND | Nissan Chemical Industries, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |