⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8677815 | 0.85 | — | — | |
| SCHEMBL8675459 | 0.83 | — | — | |
| SCHEMBL8676039 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL6461765 | 0.80 | — | — | |
| Fluoride SCHEMBL5167042 | 0.80 | — | — | |
| Bromide SCHEMBL1539593 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL1539794 | 0.80 | — | — | |
| Fluoride SCHEMBL1539760 | 0.80 | — | — | |
| SCHEMBL8676097 | 0.78 | — | — | |
| SCHEMBL27619028 | 0.77 | ACHE (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5723398-A | CATALYST OF METAL CYCLOPENTADIENYL COMPLEX FOR POLYMERIZATION | THE DOW CHEMICAL COMPANY (US) | 1998-03-03 | — | — | US | disclosed |
| US-5494874-A | TITANIUM COMPLEXES WITH A COCATALYST AS POLYMERIZATION CATALYSTS | THE DOW CHEMICAL COMPANY (US) | 1996-02-27 | — | — | US | disclosed |
| US-5374696-A | Catalyzing the addition polymerization in presence of titanium metal complexes with cocatalysts | THE DOW CHEMICAL COMPANY (US) | 1994-12-20 | — | — | US | disclosed |