⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2964583 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL2482126 | 0.80 | — | — | |
| SCHEMBL2046871 | 0.78 | RAPGEF4 (0.32) | — | |
| SCHEMBL29773511 | 0.78 | RAPGEF4 (0.32) | — | |
| SCHEMBL2962329 | 0.78 | CRHBP (0.32) | — | |
| SCHEMBL1453124 | 0.77 | — | — | |
| SCHEMBL15672473 | 0.77 | HIF1A (0.36) | — | |
| Lithium SCHEMBL29650729 | 0.77 | RAPGEF4 (0.31) | — | |
| SCHEMBL2963417 | 0.76 | CRHBP (0.44) | — | |
| Hydrochloric Acid SCHEMBL28063714 | 0.75 | RAPGEF4 (0.30) | — |
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-7763562-B2 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |
| WO-2006065809-A2 | HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |