⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL326094 | 0.95 | — | — | |
| SCHEMBL9719892 | 0.90 | — | — | |
| Fluoride SCHEMBL7573266 | 0.90 | — | — | |
| Water SCHEMBL5382704 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL754852 | 0.90 | — | — | |
| Benzene SCHEMBL17493144 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL15106937 | 0.79 | — | — | |
| SCHEMBL15106936 | 0.79 | — | — | |
| Bicarbonate SCHEMBL6433769 | 0.76 | — | — | |
| Sulfuric Acid SCHEMBL11597740 | 0.73 | — | — |
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-5283294-A | Crystalline polymer in rubber elastomer | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0336874-A1 | Inverse phase polymerization | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1989-10-11 | — | — | EP | disclosed |