⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3676072 | 0.87 | CA1 (0.33) | — | |
| SCHEMBL3680927 | 0.87 | TNFRSF1A (0.32) | — | |
| SCHEMBL3677168 | 0.86 | TNFRSF1A (0.31) | — | |
| SCHEMBL3676972 | 0.83 | HTR2C (0.34) | — | |
| SCHEMBL3683598 | 0.80 | — | — | |
| SCHEMBL7781721 | 0.79 | CYP19A1 (0.33) | — | |
| SCHEMBL3675854 | 0.78 | — | — | |
| SCHEMBL3680622 | 0.77 | — | — | |
| SCHEMBL3680618 | 0.76 | — | — | |
| SCHEMBL3683683 | 0.75 | — | — |
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 |