⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9344700 | 0.81 | — | — | |
| SCHEMBL28282919 | 0.67 | CHRM1 (0.43) | — | |
| SCHEMBL28490052 | 0.65 | — | — | |
| SCHEMBL12900798 | 0.64 | — | — | |
| SCHEMBL59250 | 0.62 | — | — | |
| SCHEMBL707614 | 0.61 | — | — | |
| SCHEMBL18901078 | 0.60 | CHRM1 (0.32) | — | |
| SCHEMBL24706775 | 0.60 | — | — | |
| SCHEMBL1785711 | 0.60 | CHRM1 (0.32) | — | |
| SCHEMBL6257770 | 0.59 | — | — |
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 |