⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL40453 | 0.75 | LMNA (0.42) | — | |
| SCHEMBL5045589 | 0.75 | — | — | |
| SCHEMBL9064251 | 0.73 | — | — | |
| SCHEMBL436900 | 0.73 | — | — | |
| SCHEMBL25243423 | 0.73 | — | — | |
| SCHEMBL7733478 | 0.71 | — | — | |
| SCHEMBL9110 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9064495 | 0.71 | — | — | |
| SCHEMBL4845914 | 0.71 | — | — | |
| SCHEMBL7027703 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5733979-A | POLYMERIZATION CATALYSTS OF TITANIUM CHLORIDE, ALUMINUM COMPOUND COORDINATION COMPLEXES WITH POROSITY | SOLVAY (SOCIETE ANONYME) (BE) | 1998-03-31 | — | — | US | disclosed |
| US-5206198-A | Titanium trichloride complex | SOLVAY S.A. (BE) | 1993-04-27 | — | — | US | disclosed |