⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2967091 | 0.88 | — | — | |
| SCHEMBL2974367 | 0.78 | NPC1 (0.30) | — | |
| SCHEMBL2974370 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL2976302 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL690132 | 0.75 | — | — | |
| SCHEMBL2969330 | 0.75 | — | — | |
| SCHEMBL2974346 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL2973581 | 0.75 | PDK2 (0.31) | — | |
| SCHEMBL2964300 | 0.74 | PDK2 (0.32) | — | |
| SCHEMBL2964129 | 0.74 | ANPEP (0.40) | — |
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 |