⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1025201 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL4089009 | 0.74 | CYP2A6 (0.34) | — | |
| Hydrochloric Acid SCHEMBL9440324 | 0.71 | HTR2C (0.34) | — | |
| SCHEMBL8770717 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL8024877 | 0.71 | CYP1A2 (0.32) | — | |
| SCHEMBL9440565 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL1685541 | 0.70 | — | — | |
| SCHEMBL2355029 | 0.70 | — | — | |
| SCHEMBL7941113 | 0.70 | — | — | |
| SCHEMBL8034237 | 0.70 | — | — |
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-5336746-A | Using a cycloalkadienylhafnium-alumoxane coordination catalyst and an alpha-olefin monomer; heat sealing agents having narrow molecular weight distribution yet low viscosity | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1994-08-09 | — | — | US | disclosed |