⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13893747 | 0.78 | — | — | |
| SCHEMBL8568936 | 0.77 | TACR1 (0.33) | — | |
| SCHEMBL8572408 | 0.75 | MEN1 (0.37) | — | |
| SCHEMBL18790149 | 0.74 | — | — | |
| SCHEMBL25000317 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL16141500 | 0.71 | — | — | |
| SCHEMBL12881654 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL4447476 | 0.70 | — | — | |
| SCHEMBL13822401 | 0.69 | — | — | |
| SCHEMBL1006447 | 0.69 | — | — |
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-5744678-A | NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY | NIPPON OIL CO., LTD. (JP) | 1998-04-28 | — | — | US | disclosed |
| US-5728641-A | Catalyst component for the polymerization of olefins | NIPPON OIL COMPANY, LIMITED (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0758563-A1 | OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT | NIPPON OIL COMPANY, LTD. (JP) | 1997-02-19 | — | — | EP | disclosed |