⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL3000731 | 0.91 | NOS2 (0.33) | — | |
| SCHEMBL8223766 | 0.88 | — | — | |
| SCHEMBL10776903 | 0.88 | — | — | |
| SCHEMBL28458927 | 0.88 | — | — | |
| SCHEMBL3346847 | 0.88 | — | — | |
| SCHEMBL23648162 | 0.88 | — | — | |
| SCHEMBL28199160 | 0.88 | — | — | |
| SCHEMBL9926301 | 0.85 | — | — | |
| SCHEMBL254704 | 0.85 | — | — | |
| SCHEMBL31121560 | 0.85 | — | — |
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-5368968-A | Modified polyester resins, a process for their preparation and toners containing such polyester resins | BAYER AKTIENGESELLSCHAFT (DE) | 1994-11-29 | — | — | US | disclosed |