⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12814751 | 0.84 | ACHE (0.32) | — | |
| SCHEMBL12815989 | 0.84 | RORC (0.30) | — | |
| SCHEMBL12815653 | 0.78 | — | — | |
| SCHEMBL16458285 | 0.74 | HSPA5 (0.30) | — | |
| Hydrochloric Acid SCHEMBL16459504 | 0.74 | — | — | |
| SCHEMBL12814952 | 0.72 | — | — | |
| SCHEMBL8216564 | 0.71 | — | — | |
| SCHEMBL12821898 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL16459121 | 0.70 | — | — | |
| SCHEMBL12815464 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2691357-A1 | METHOD FOR PRODUCING 1-HEXENE | Sumitomo Chemical Company Limited (JP) | 2014-02-05 | — | — | EP | disclosed |
| US-20140012056-A1 | METHOD FOR PRODUCING 1-HEXENE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-01-09 | — | — | US | disclosed |
| WO-2012133937-A1 | METHOD FOR PRODUCING 1-HEXENE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-10-04 | — | — | WO | disclosed |