⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2971170 | 0.80 | — | — | |
| SCHEMBL2973254 | 0.78 | — | — | |
| SCHEMBL2973257 | 0.77 | NPC1 (0.33) | — | |
| SCHEMBL2964210 | 0.77 | — | — | |
| SCHEMBL2959156 | 0.77 | — | — | |
| SCHEMBL2973139 | 0.76 | — | — | |
| SCHEMBL2960655 | 0.76 | — | — | |
| SCHEMBL2973067 | 0.76 | — | — | |
| SCHEMBL2973554 | 0.75 | — | — | |
| SCHEMBL2975527 | 0.73 | ALDH1A1 (0.34) | — |
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 2 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 |