⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6658319 | 1.00 | — | — | |
| SCHEMBL6658322 | 1.00 | — | — | |
| SCHEMBL28310857 | 0.79 | — | — | |
| SCHEMBL29818225 | 0.77 | — | — | |
| SCHEMBL10400171 | 0.77 | — | — | |
| SCHEMBL28490052 | 0.77 | — | — | |
| SCHEMBL1747470 | 0.77 | — | — | |
| SCHEMBL10400170 | 0.77 | — | — | |
| SCHEMBL1747473 | 0.77 | — | — | |
| SCHEMBL11097732 | 0.76 | — | — |
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-6433242-B1 | SEPARATION OF ISOMER MIXTURE USING ZEOLITE CATALYST | OXENO OLEFINCHEMIE GMBH (DE) | 2002-08-13 | — | — | US | disclosed |
| CN-1266835-A | Process for fractionation of dibutene | OXENO OLEFINCHEMIE GMBH (DE) | 2000-09-20 | — | — | CN | disclosed |