⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3155512 | 0.87 | — | — | |
| SCHEMBL491101 | 0.82 | — | — | |
| SCHEMBL8407387 | 0.82 | — | — | |
| SCHEMBL6037221 | 0.82 | — | — | |
| SCHEMBL3841426 | 0.82 | — | — | |
| SCHEMBL7456241 | 0.67 | — | — | |
| SCHEMBL9182450 | 0.67 | — | — | |
| SCHEMBL630374 | 0.67 | — | — | |
| SCHEMBL8526878 | 0.67 | — | — | |
| SCHEMBL4181973 | 0.67 | — | — |
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-20070135665-A1 | Method for the production of olefins comprising 8 to 12 carbon atoms | EVONIK OXENO GMBH (DE) | 2007-06-14 | — | — | US | disclosed |
| US-5198414-A | In-situ growth of flourounated superconducting, Y-Ba-Cu-O thin films on sapphire substrates with a buffer layer by laser ablation | ENERGY CONVERSION DEVICES, INC. (US) | 1993-03-30 | — | — | US | disclosed |