⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL907398 | 0.71 | — | — | |
| SCHEMBL1051538 | 0.67 | — | — | |
| SCHEMBL4595181 | 0.67 | — | — | |
| SCHEMBL7551868 | 0.67 | — | — | |
| SCHEMBL9711600 | 0.67 | — | — | |
| SCHEMBL5565070 | 0.67 | — | — | |
| SCHEMBL15009768 | 0.63 | — | — | |
| SCHEMBL27584511 | 0.63 | — | — | |
| SCHEMBL336845 | 0.63 | — | — | |
| SCHEMBL135427 | 0.63 | — | — |
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-6541119-B2 | Top coat of the composite coating composition comprising an ungelled organic polysiloxane containing reactive group selected from hydroxy, carbamate, epoxy, isocyante, carboxyl; a reactive functional group containing curing agent | PPG INDUSTRIES OHIO, INC. | 2003-04-01 | — | — | US | claimed |