⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5085986 | 0.69 | — | — | |
| SCHEMBL27339836 | 0.49 | TP53 (0.62) | — | |
| Hydrochloric Acid SCHEMBL7125965 | 0.46 | — | — | |
| SCHEMBL28806252 | 0.44 | PTGS2 (0.48) | — | |
| SCHEMBL1229156 | 0.44 | KDM4E (0.31) | — | |
| SCHEMBL18205013 | 0.43 | — | — | |
| Propane SCHEMBL258695 | 0.43 | — | — | |
| Propane SCHEMBL11463258 | 0.43 | — | — | |
| SCHEMBL11218163 | 0.43 | ACHE (0.30) | — | |
| SCHEMBL1004361 | 0.43 | — | — |
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-6262197-B1 | AS POLYMERIZATION CATALYST IN OLEFIN POLYMERIZATION | TARGOR GMBH (DE) | 2001-07-17 | — | — | US | disclosed |
| EP-0739897-A1 | Polynuclear metallocene compound, process for preparing it and its use as catalyst | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-10-30 | — | — | EP | disclosed |