⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29012346 | 0.71 | — | — | |
| SCHEMBL28533890 | 0.71 | — | — | |
| SCHEMBL2400705 | 0.71 | — | — | |
| SCHEMBL7872585 | 0.71 | — | — | |
| SCHEMBL8208410 | 0.71 | — | — | |
| SCHEMBL29503562 | 0.71 | — | — | |
| SCHEMBL1038361 | 0.71 | — | — | |
| SCHEMBL1172430 | 0.71 | — | — | |
| Radium Ra-223 SCHEMBL6001995 | 0.71 | — | — | |
| SCHEMBL7089824 | 0.71 | — | — |
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-4017525-A | Tetra(neophyl) zirconium | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 1977-04-12 | — | — | US | disclosed |
| US-4011383-A | TETRA(NEOPHYL) ZIRCONIUM AND ITS USE IN PROCESS FOR THE POLYMERIZATION OF OLEFINS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-03-08 | — | — | US | disclosed |
| US-3932307-A | Tetra(neophyl) zirconium and its use in process for the polymerization of olefins | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-01-13 | — | — | US | disclosed |