⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13490 | 0.95 | — | — | |
| SCHEMBL5758677 | 0.95 | — | — | |
| Phosphine SCHEMBL5861366 | 0.90 | — | — | |
| Iodide SCHEMBL11827015 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL1923639 | 0.90 | — | — | |
| SCHEMBL474594 | 0.90 | — | — | |
| SCHEMBL2080760 | 0.90 | — | — | |
| Charcoal, Activated SCHEMBL4824381 | 0.90 | — | — | |
| SCHEMBL1053689 | 0.90 | — | — | |
| SCHEMBL9347802 | 0.90 | — | — |
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-5216083-A | Polymerization of cis-5,6-bis(trimethylsiloxy)-1,3-cyclohexadiene and other substituted cyclohexadienes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1993-06-01 | — | — | US | disclosed |
| US-5128418-A | Polypara-phenylene | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1992-07-07 | — | — | US | disclosed |