⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7928032 | 0.72 | BCHE (0.30) | — | |
| SCHEMBL219160 | 0.71 | NR1H2 (0.34) | — | |
| SCHEMBL27902722 | 0.70 | IDO1 (0.38) | — | |
| SCHEMBL19469139 | 0.69 | NPC1 (0.31) | — | |
| Iodide SCHEMBL7931458 | 0.69 | — | — | |
| SCHEMBL16424390 | 0.69 | — | — | |
| Iodide SCHEMBL7935537 | 0.69 | — | — | |
| Iodide SCHEMBL7930581 | 0.69 | — | — | |
| SCHEMBL18243518 | 0.67 | SETD7 (0.36) | — | |
| SCHEMBL27419035 | 0.67 | HSD11B1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |