⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL67972 | 0.83 | — | — | |
| SCHEMBL8668054 | 0.83 | — | — | |
| Water SCHEMBL18764007 | 0.80 | — | — | |
| SCHEMBL303221 | 0.80 | — | — | |
| SCHEMBL8857941 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6849656 | 0.77 | — | — | |
| SCHEMBL8750826 | 0.76 | — | — | |
| SCHEMBL15632626 | 0.75 | — | — | |
| SCHEMBL15674322 | 0.67 | — | — | |
| SCHEMBL8465358 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5359109-A | Waterproof coating | OSI SPECIALTIES, INC. (US) | 1994-10-25 | — | — | US | claimed |
| JP-9309889-A | — | — | None | — | — | JP | disclosed |
| JP-H09309889-A | SILOXANE AND ITS PRODUCTION | CHISSO CORP | 1997-12-02 | — | — | JP | disclosed |
| EP-0629628-A2 | Surface-active siloxane coating compounds and their use in coatings | OSI SPECIALTIES, INC. (US) | 1994-12-21 | — | — | EP | disclosed |
| US-5359109-A | Waterproof coating | OSI SPECIALTIES, INC. (US) | 1994-10-25 | — | — | US | disclosed |