⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2513713 | 0.90 | — | — | |
| SCHEMBL2508944 | 0.88 | — | — | |
| SCHEMBL5891113 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL5357270 | 0.87 | — | — | |
| SCHEMBL5353201 | 0.87 | — | — | |
| SCHEMBL2511754 | 0.87 | EDNRB (0.35) | — | |
| SCHEMBL2513827 | 0.86 | — | — | |
| SCHEMBL2512918 | 0.85 | — | — | |
| SCHEMBL27946791 | 0.84 | — | — | |
| SCHEMBL2514661 | 0.84 | EDNRB (0.32) | — |
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-8034886-B2 | Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts | TICONA GMBH (DE) | 2011-10-11 | — | — | US | disclosed |
| US-20100056737-A1 | Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts | NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) | 2010-03-04 | — | — | US | disclosed |
| US-7598329-B2 | Process for manufacturing ultra high molecular weight polymers using novel bridged metallocene catalysts | TICONA GMBH (DE) | 2009-10-06 | — | — | US | disclosed |