⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8893281 | 0.85 | — | — | |
| SCHEMBL8892135 | 0.71 | — | — | |
| SCHEMBL8404615 | 0.69 | — | — | |
| SCHEMBL16351236 | 0.67 | — | — | |
| SCHEMBL8891264 | 0.64 | — | — | |
| SCHEMBL16623112 | 0.61 | — | — | |
| SCHEMBL9735481 | 0.60 | — | — | |
| SCHEMBL5533086 | 0.59 | CA1 (0.31) | — | |
| SCHEMBL8958437 | 0.59 | CA1 (0.31) | — | |
| SCHEMBL8958368 | 0.59 | CA1 (0.31) | — |
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-5684111-A | CATALYTIC POLYMERIZATION FORMING POLYSILOXANES, POLYSILAZANES AND POLYTHIOSILOXANES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-11-04 | — | — | US | disclosed |