⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL7933877 | 0.73 | — | — | |
| Butane SCHEMBL7931455 | 0.73 | — | — | |
| Butane SCHEMBL7929199 | 0.73 | HTR6 (0.30) | — | |
| SCHEMBL8155936 | 0.72 | HTR6 (0.42) | — | |
| SCHEMBL5710075 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7929233 | 0.71 | — | — | |
| Iodide SCHEMBL7921898 | 0.71 | — | — | |
| Iodide SCHEMBL7927990 | 0.71 | — | — | |
| Bromide SCHEMBL7921895 | 0.71 | KDM4E (0.30) | — | |
| Bromide SCHEMBL7930673 | 0.71 | KDM4E (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0946610-B1 | HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS | EXXONMOBIL CHEM PATENTS INC (US) | 2001-11-28 | — | — | EP | disclosed |
| US-6180736-B1 | USING SUPPORT AND A COMPLEX FORMED BY ACTIVATING A GROUP 3, 4, 5, OR 6 METALLOCENE COMPRISING UNSUBSTITUTED (TETRAHYDRO) INDENYL LIGAND AND UNSUBSTITUTED CYCLOPENTADIENYL LIGAND; ETHYLENE POLYMERS WITH NARROW MOLECULAR WEIGHT DISTRIBUTION | EXXON CHEMICAL PATENTS INC | 2001-01-30 | — | — | US | disclosed |
| EP-0946610-A1 | HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS | EXXON CHEMICAL PATENTS INC. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028350-A1 | HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS | EXXON CHEMICAL PATENTS INC. (US) | 1998-07-02 | — | — | WO | disclosed |