⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8775933 | 0.69 | — | — | |
| SCHEMBL5805230 | 0.65 | — | — | |
| SCHEMBL6291468 | 0.62 | — | — | |
| SCHEMBL300801 | 0.62 | IDO1 (0.31) | — | |
| SCHEMBL7941211 | 0.58 | — | — | |
| SCHEMBL11272288 | 0.58 | — | — | |
| SCHEMBL7944187 | 0.58 | — | — | |
| SCHEMBL224865 | 0.48 | — | — | |
| SCHEMBL17513045 | 0.48 | — | — | |
| Naphthalene SCHEMBL1272176 | 0.44 | IDO1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0528041-B1 | NOVEL TRANSITION METAL COMPOUND AND PROCESS FOR POLYMERIZING OLEFIN BY USING THE SAME | MITSUI TOATSU CHEMICALS (JP) | 1997-11-19 | — | — | EP | disclosed |
| US-5439994-A | Preparing polymers with wide molecular weight distribution | MITSUI TOATSU CHEMICALS, INC. (JP) | 1995-08-08 | — | — | US | disclosed |
| US-5359102-A | Having cyclopentadienyl, indenyl, dicyclopentadienyl, and or fluorenyl group or theier derivatives as a legand used together with cocatalyst aluminoxane | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-10-25 | — | — | US | disclosed |
| EP-0528041-A1 | NOVEL TRANSITION METAL COMPOUND AND PROCESS FOR POLYMERIZING OLEFIN BY USING THE SAME | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-02-24 | — | — | EP | disclosed |