⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7194255 | 0.95 | — | — | |
| SCHEMBL7193021 | 0.93 | — | — | |
| SCHEMBL7195922 | 0.93 | — | — | |
| SCHEMBL7194667 | 0.92 | — | — | |
| SCHEMBL7195155 | 0.91 | — | — | |
| SCHEMBL7195200 | 0.90 | — | — | |
| SCHEMBL7194938 | 0.90 | — | — | |
| SCHEMBL7189389 | 0.89 | — | — | |
| SCHEMBL7188340 | 0.89 | — | — | |
| SCHEMBL7195093 | 0.88 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6627764-B1 | Titanium, hafnium or zirconium indenyl halide complexes; coordination catalysts | BASELL POLYOLEFINE GMBH (DE) | 2003-09-30 | — | — | US | disclosed |