⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2962516 | 0.80 | MEN1 (0.33) | — | |
| SCHEMBL2970803 | 0.78 | NPC1 (0.33) | — | |
| SCHEMBL2970802 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL2966230 | 0.76 | AKR1C3 (0.39) | — | |
| SCHEMBL2976257 | 0.76 | NUDT1 (0.32) | — | |
| SCHEMBL2973661 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL2972491 | 0.71 | — | — | |
| SCHEMBL2965015 | 0.70 | CA12 (0.36) | — | |
| SCHEMBL2964575 | 0.67 | MEN1 (0.37) | — | |
| SCHEMBL2958875 | 0.67 | ADRA2A (0.31) | — |
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 |