⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL232898 | 0.77 | — | — | |
| SCHEMBL9562720 | 0.74 | — | — | |
| SCHEMBL15015774 | 0.73 | — | — | |
| SCHEMBL9615199 | 0.73 | — | — | |
| Butadiene SCHEMBL2499295 | 0.63 | — | — | |
| SCHEMBL21385488 | 0.58 | — | — | |
| SCHEMBL795785 | 0.56 | — | — | |
| SCHEMBL21851820 | 0.56 | — | — | |
| SCHEMBL28239675 | 0.56 | — | — | |
| Tetrahydrofuran SCHEMBL18315816 | 0.55 | ALDH1A1 (0.50) | — |
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-20080090985-A1 | PROCESS FOR PRODUCING CONTROLLED VISCOSITY FLUOROSILICONE POLYMERS | MOMENTIVE PERFORMANCE MATERIALS INC. | 2008-04-17 | — | — | US | disclosed |