⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12815439 | 0.83 | — | — | |
| SCHEMBL12815320 | 0.83 | CASR (0.32) | — | |
| SCHEMBL12814763 | 0.80 | — | — | |
| SCHEMBL12815410 | 0.79 | CASR (0.30) | — | |
| SCHEMBL12815322 | 0.79 | ESR1 (0.33) | — | |
| SCHEMBL16459681 | 0.79 | — | — | |
| SCHEMBL12815233 | 0.78 | — | — | |
| SCHEMBL16458210 | 0.77 | GABRA1 (0.31) | — | |
| SCHEMBL16458373 | 0.75 | — | — | |
| SCHEMBL16458961 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140012056-A1 | METHOD FOR PRODUCING 1-HEXENE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-01-09 | — | — | US | disclosed |