⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL734133 | 0.90 | CYP1A2 (0.33) | — | |
| SCHEMBL29076910 | 0.80 | — | — | |
| SCHEMBL231369 | 0.79 | NPSR1 (0.32) | — | |
| SCHEMBL28962655 | 0.79 | NPSR1 (0.32) | — | |
| SCHEMBL13518072 | 0.79 | NPSR1 (0.32) | — | |
| SCHEMBL731983 | 0.77 | — | — | |
| SCHEMBL14904117 | 0.71 | NPC1 (0.32) | — | |
| SCHEMBL14904107 | 0.71 | NPC1 (0.32) | — | |
| SCHEMBL14890594 | 0.71 | NPC1 (0.32) | — | |
| SCHEMBL14904116 | 0.71 | NPC1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8258247-B2 | Catalyst component for polymerization of ethylene and process for producing ethylene polymer (2) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-09-04 | — | — | US | disclosed |
| US-20110003950-A1 | CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (2) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-01-06 | — | — | US | disclosed |