⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7059427 | 0.77 | EPAS1 (0.33) | — | |
| Phenol SCHEMBL7545212 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL31555983 | 0.60 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL3170584 | 0.58 | — | — | |
| Trifluoroacetic Acid SCHEMBL3175960 | 0.58 | — | — | |
| Trifluoroacetic Acid SCHEMBL28568737 | 0.58 | — | — | |
| Trifluoroacetic Acid SCHEMBL3199213 | 0.58 | CA4 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL28342502 | 0.58 | CA4 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5846893 | 0.57 | EPAS1 (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL11639909 | 0.56 | CA4 (0.35) | — |
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 |