⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL8093569 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL27746288 | 0.92 | — | — | |
| SCHEMBL20118993 | 0.68 | — | — | |
| SCHEMBL26791625 | 0.68 | — | — | |
| SCHEMBL20049507 | 0.68 | — | — | |
| SCHEMBL4231498 | 0.64 | SHBG (0.38) | — | |
| SCHEMBL9843552 | 0.64 | — | — | |
| SCHEMBL9247391 | 0.64 | — | — | |
| SCHEMBL9843457 | 0.64 | — | — | |
| SCHEMBL13812457 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948575-A1 | SEALING COMPOUND AND ITS USE FOR PRODUCING PRESSURE-TIGHT CONTAINERS | PPG Industries Ohio, Inc. (US) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998028379-A1 | SEALING COMPOUND AND ITS USE FOR PRODUCING PRESSURE-TIGHT CONTAINERS | PPG INDUSTRIES OHIO, INC. (US) | 1998-07-02 | — | — | WO | disclosed |