⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL674915 | 0.76 | — | — | |
| SCHEMBL9302436 | 0.76 | — | — | |
| Ethylene Glycol SCHEMBL7083303 | 0.74 | — | — | |
| SCHEMBL134919 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL1091246 | 0.70 | — | — | |
| SCHEMBL1966296 | 0.69 | CYP2C19 (0.30) | — | |
| SCHEMBL4967622 | 0.69 | TSHR (0.37) | — | |
| Ethylene Glycol SCHEMBL28396571 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL5675552 | 0.68 | — | — | |
| SCHEMBL7952676 | 0.68 | ALDH1A1 (0.32) | — |
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-20030149145-A1 | Flameproofed molding compositions | BAYER AKTIENGESELLSCHAFT (DE) | 2003-08-07 | — | — | US | disclosed |