⚠ 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 | |
|---|---|---|---|---|
| 1-Pentanol SCHEMBL7915951 | 0.97 | — | — | |
| 1-Pentanol SCHEMBL29763050 | 0.93 | — | — | |
| Hexane SCHEMBL28031702 | 0.93 | SMN1; SMN2 (1.00) | — | |
| 1-Pentanol SCHEMBL901214 | 0.93 | SMN1; SMN2 (1.00) | — | |
| 1-Pentanol SCHEMBL1330836 | 0.93 | — | — | |
| 1-Pentanol SCHEMBL10668 | 0.93 | — | — | |
| 1-Pentanol SCHEMBL440672 | 0.90 | — | — | |
| SCHEMBL25421234 | 0.89 | LMNA (1.00) | — | |
| Docosanol SCHEMBL21218972 | 0.89 | LMNA (1.00) | — | |
| SCHEMBL2884866 | 0.89 | LMNA (1.00) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5198399-A | Coordination catalyst on biodegradable support, olefin polymerization | QUANTUM CHEMICAL CORPORATION (US) | 1993-03-30 | — | — | US | claimed |
| WO-1993000368-A1 | SUPPORTED HIGH ACTIVITY POLYOLEFIN CATALYST COMPONENT WITH REGULAR DISTRIBUTION OF MAGNESIUM VALUES PROVIDED UTILIZING A CONTROLLED DRYING PROTOCOL | QUANTUM CHEMICAL CORPORATION (US) | 1993-01-07 | — | — | WO | claimed |
| US-5298579-A | Using modified biodegradable substrate with catalytically active sites susceptible to fragmentation caused by polymer | QUANTUM CHEMICAL CORPORATION (US) | 1994-03-29 | — | — | US | disclosed |
| US-5198399-A | Coordination catalyst on biodegradable support, olefin polymerization | QUANTUM CHEMICAL CORPORATION (US) | 1993-03-30 | — | — | US | disclosed |
| US-5145821-A | Magnesium compound, titanium compound, a silane, halide of silicon, boron and aluminum as modifiers, polypropylene | QUANTUM CHEMICAL CORPORATION (US) | 1992-09-08 | — | — | US | disclosed |