⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27917670 | 0.80 | — | — | |
| SCHEMBL9177019 | 0.71 | — | — | |
| SCHEMBL2680068 | 0.69 | — | — | |
| SCHEMBL28017498 | 0.67 | — | — | |
| SCHEMBL1765967 | 0.67 | — | — | |
| SCHEMBL232831 | 0.67 | — | — | |
| SCHEMBL28147813 | 0.67 | — | — | |
| SCHEMBL15154810 | 0.67 | — | — | |
| SCHEMBL28255930 | 0.67 | — | — | |
| SCHEMBL16673236 | 0.65 | — | — |
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-6258913-B1 | ADDITION-POLYSILOXANE COPOLYMERS | WACKER-CHEMIE GMBH (DE) | 2001-07-10 | — | — | US | disclosed |