⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8160951 | 0.98 | — | — | |
| Acetic Acid SCHEMBL7760489 | 0.83 | CA1 (0.35) | — | |
| Fluoride Ion SCHEMBL8084203 | 0.78 | CA1 (0.35) | — | |
| Fluoride Ion SCHEMBL1131127 | 0.78 | CTSD (0.33) | — | |
| Fluoride Ion SCHEMBL7642596 | 0.78 | CTSD (0.33) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL8165982 | 0.76 | CTSD (0.31) | — | |
| SCHEMBL6933930 | 0.76 | CTSD (0.32) | — | |
| Iodide SCHEMBL1539693 | 0.73 | CTSD (0.33) | — | |
| SCHEMBL7764160 | 0.72 | MEN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8161279 | 0.67 | — | — |
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-6013744-A | ADDING A MONO- OR DIHYDROCARBYLSILANE ADJUVANT TO THE MONOMER MIXTURE AND CONTACTING UNDER POLYMERIZATION CONDITIONS WITH A GROUP 4 METAL COMPLEX OF GIVEN FORMULA AND ACTIVATING COCATALYST | THE DOW CHEMICAL COMPANY (US) | 2000-01-11 | — | — | US | disclosed |