⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL6812938 | 0.80 | — | — | |
| SCHEMBL6812513 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7518799 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6813758 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7565189 | 0.64 | — | — | |
| Fluoride SCHEMBL4634133 | 0.59 | — | — | |
| SCHEMBL20474080 | 0.58 | — | — | |
| SCHEMBL6300693 | 0.58 | — | — | |
| SCHEMBL7102582 | 0.58 | — | — | |
| SCHEMBL7106750 | 0.58 | — | — |
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-6300450-B1 | Conjugated diene compound polymerization catalyst process for the preparation of conjugated diene polymer in the presence thereof and polybutadiene thus prepared | UBE INDUSTRIES, LTD. (JP) | 2001-10-09 | — | — | US | disclosed |