⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3517134 | 0.93 | TP53 (0.38) | — | |
| SCHEMBL1403754 | 0.78 | — | — | |
| SCHEMBL589943 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL9810522 | 0.77 | TP53 (0.44) | — | |
| SCHEMBL41377 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL27299236 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL246433 | 0.74 | TSHR (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL339617 | 0.74 | TSHR (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL2420015 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL11361422 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113422039-A | Ternary composite oxide matrix material, ternary positive electrode material, preparation method and lithium ion battery prepared from ternary composite oxide matrix material and ternary positive electrode material | 北京车和家信息技术有限公司 | 2021-09-21 | — | — | CN | disclosed |
| US-RE30810-E | HEAT STABILIZERS FOR POLYMERS | THIOKOL CORPORATION (US) | 1981-12-01 | — | — | US | disclosed |
| US-RE30032-E | POLYMER STABILIZERS | CINCINNATI MILACRON CHEMICALS, INC. (US) | 1979-06-12 | — | — | US | disclosed |
| US-3979359-A | STABILIZERS FOR VINYL- AND VINYLIDENE HALIDE POLYMERS | CINCINNATI MILACRON CHEMICALS, INC. (US) | 1976-09-07 | — | — | US | disclosed |