⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17723152 | 0.78 | — | — | |
| SCHEMBL14611289 | 0.75 | — | — | |
| SCHEMBL28852321 | 0.71 | — | — | |
| SCHEMBL18913126 | 0.67 | — | — | |
| SCHEMBL22079744 | 0.67 | — | — | |
| SCHEMBL27974034 | 0.65 | — | — | |
| SCHEMBL27458474 | 0.65 | — | — | |
| SCHEMBL28387601 | 0.65 | — | — | |
| SCHEMBL27763290 | 0.65 | — | — | |
| SCHEMBL27771772 | 0.65 | — | — |
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-1225081-A | Recovery of styrene from pyrolysis gasoline by extractive distillation | HFM INT INC (US) | 1999-08-04 | — | — | CN | disclosed |
| CN-1207105-A | Catalyst system | TARGOR GMBH (DE) | 1999-02-03 | — | — | CN | disclosed |
| CN-1169997-A | Compound of transition metals | HOECHST AG (DE) | 1998-01-14 | — | — | CN | disclosed |
| US-4424123-A | Ore flotation using fulvenes | PHILLIPS PETROLEUM COMPANY (US) | 1984-01-03 | — | — | US | disclosed |