⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12814964 | 0.82 | ACHE (0.37) | — | |
| SCHEMBL4950926 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL16457898 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL16457788 | 0.68 | — | — | |
| SCHEMBL12814646 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL16457947 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL16459392 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4977514 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL4977523 | 0.66 | — | — | |
| SCHEMBL4980352 | 0.66 | — | — |
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 |