⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27747996 | 1.00 | ODC1 (0.45) | — | |
| SCHEMBL12230876 | 1.00 | — | — | |
| SCHEMBL28822385 | 1.00 | ODC1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL31712150 | 0.97 | — | — | |
| SCHEMBL5513640 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL8863583 | 0.94 | — | — | |
| SCHEMBL1038811 | 0.87 | — | — | |
| SCHEMBL17770697 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL3889714 | 0.84 | — | — | |
| SCHEMBL10776208 | 0.83 | ODC1 (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6147260-A | REACTING 3-HYDROXY-2-PROPIONYL-5-(2,4,6-TRIMETHYLPHENYL)CYCLOHEX-2-EN-1 -ONE WITH BUTYRYL CHLORIDE IN PRESENCE OF FRIEDEL-CRAFTS CATALYST IN INERT DILUENT, REACTING PRODUCT WITH ETHOXYAMINE | ORICA AUSTRALIA PTY, LTD (AU) | 2000-11-14 | — | — | US | disclosed |