⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3686515 | 0.89 | DHFR (0.32) | — | |
| SCHEMBL3675621 | 0.87 | — | — | |
| SCHEMBL5558329 | 0.85 | — | — | |
| SCHEMBL3683225 | 0.80 | CA1 (0.37) | — | |
| SCHEMBL3683851 | 0.79 | DHFR (0.31) | — | |
| SCHEMBL3677065 | 0.78 | — | — | |
| SCHEMBL3678737 | 0.77 | — | — | |
| SCHEMBL3681444 | 0.74 | — | — | |
| SCHEMBL5558341 | 0.73 | — | — | |
| SCHEMBL3678561 | 0.73 | PDCD1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1785429-B1 | PROCESS FOR PRODUCING METALLOCENE COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2012-10-03 | — | — | EP | disclosed |
| US-7652159-B2 | Process for producing metallocene compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-01-26 | — | — | US | disclosed |
| US-20080319213-A1 | Process For Producing Metallocene Compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-12-25 | — | — | US | disclosed |
| EP-1785429-A1 | PROCESS FOR PRODUCING METALLOCENE COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2007-05-16 | — | — | EP | disclosed |