⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7737411 | 0.97 | CYP1A2 (0.30) | — | |
| SCHEMBL7733860 | 0.93 | — | — | |
| SCHEMBL7579988 | 0.91 | — | — | |
| SCHEMBL7580266 | 0.88 | — | — | |
| SCHEMBL7574252 | 0.87 | CYP1A2 (0.30) | — | |
| SCHEMBL7582311 | 0.83 | — | — | |
| SCHEMBL7573490 | 0.82 | — | — | |
| SCHEMBL7573076 | 0.79 | — | — | |
| SCHEMBL7737410 | 0.78 | — | — | |
| SCHEMBL7575459 | 0.77 | SLC6A9 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020019504-A1 | Stereospecific; low molecular weight | MITSUI CHEMICALS, INC. (JP) | 2002-02-14 | — | — | US | disclosed |
| US-6342568-B1 | ADDITION POLYMERIZATION OF HIGHLYS STEREOSPECIFIC AND LOW MOLECULAR WEIGHT POLYOLEFINS USING CATALYST COMPRISING CYCLOPENTADIENYL-SUBSTITUTED FLUORENE COMPOUND COMPLEXED WITH GROUP IV METAL | MITSUI CHEMICALS, INC. (JP) | 2002-01-29 | — | — | US | disclosed |
| EP-0955305-A1 | Metallocene compound, and process for preparing polyolefin by using it | Mitsui Chemicals, Inc. (JP) | 1999-11-10 | — | — | EP | disclosed |