⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL576623 | 0.73 | — | — | |
| SCHEMBL846775 | 0.73 | — | — | |
| SCHEMBL14748794 | 0.73 | — | — | |
| SCHEMBL22769627 | 0.71 | CYP3A4 (0.46) | — | |
| SCHEMBL15095488 | 0.69 | — | — | |
| SCHEMBL9491516 | 0.67 | — | — | |
| SCHEMBL8563736 | 0.67 | — | — | |
| SCHEMBL16151440 | 0.63 | — | — | |
| SCHEMBL20584815 | 0.63 | — | — | |
| SCHEMBL22769628 | 0.62 | SMN1; SMN2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0820480-A1 | LOW-VISCOSITY POLYURETHANE PREPOLYMER | Billeter, Marc Rolf (DE) | 1998-01-28 | — | — | EP | claimed |
| WO-1996032431-A1 | LOW-VISCOSITY POLYURETHANE PREPOLYMER | BILLETER MARC ROLF (DE) | 1996-10-17 | — | — | WO | claimed |
| CN-111247681-B | Electrolyte, electrochemical device, lithium ion secondary battery and assembly | 大金工业株式会社 | 2023-07-14 | — | — | CN | disclosed |
| CN-116154292-A | Electrolyte, electrochemical device, lithium ion secondary battery and assembly | 大金工业株式会社 | 2023-05-23 | — | — | CN | disclosed |