⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17264948 | 0.81 | — | — | |
| SCHEMBL7107580 | 0.75 | — | — | |
| SCHEMBL2774084 | 0.72 | — | — | |
| SCHEMBL20971306 | 0.72 | THRB (0.33) | — | |
| SCHEMBL4082435 | 0.71 | CETP (0.31) | — | |
| SCHEMBL31303529 | 0.69 | THRB (0.38) | — | |
| SCHEMBL21618186 | 0.69 | — | — | |
| SCHEMBL30987370 | 0.67 | — | — | |
| SCHEMBL25284832 | 0.67 | — | — | |
| SCHEMBL25239081 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022092800-A1 | LIQUID ELECTROLYTE FOR LITHIUM-SULFUR SECONDARY BATTERY AND LITHIUM-SULFUR SECONDARY BATTERY COMPRISING SAME | 주식회사 엘지에너지솔루션 | 2022-05-05 | — | — | WO | disclosed |
| WO-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |