⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4999989 | 0.84 | — | — | |
| SCHEMBL5352026 | 0.83 | — | — | |
| SCHEMBL389032 | 0.82 | — | — | |
| SCHEMBL7640638 | 0.81 | FAAH (0.31) | — | |
| SCHEMBL7643002 | 0.81 | GABRA1 (0.31) | — | |
| SCHEMBL7640199 | 0.81 | — | — | |
| SCHEMBL1130923 | 0.80 | BRD4 (0.31) | — | |
| SCHEMBL7635121 | 0.79 | — | — | |
| SCHEMBL1131276 | 0.77 | MAOA (0.33) | — | |
| SCHEMBL7220661 | 0.76 | SLC6A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020143125-A1 | Catalyst component and catalyst system having a high polymerization activity for preparing polymers | KAMINSKY WALTER (DE) | 2002-10-03 | — | — | US | disclosed |
| US-6303718-B1 | PARTICULARLY A CATALYST SYSTEM CONSISTING OF METALLOCENE FLUORIDES AND ALUMINUM ALKYLS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-10-16 | — | — | US | disclosed |