⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29491001 | 1.00 | — | — | |
| SCHEMBL19312 | 1.00 | — | — | |
| SCHEMBL29871969 | 1.00 | — | — | |
| SCHEMBL8435903 | 1.00 | — | — | |
| SCHEMBL8437156 | 1.00 | — | — | |
| Bromide SCHEMBL1984422 | 0.71 | — | — | |
| Fluoride SCHEMBL3793490 | 0.71 | — | — | |
| Fluoride SCHEMBL218270 | 0.71 | — | — | |
| SCHEMBL6655685 | 0.71 | — | — | |
| SCHEMBL8495097 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1100617-B1 | BIMETALLIC-CYANIDE CATALYSTS USED FOR PREPARING POLYETHER POLYOLS | BAYER MATERIALSCIENCE AG (DE) | 2004-10-06 | — | — | EP | disclosed |
| EP-1258291-A2 | Double metal cyanide catalysts for the preparation of polyetherpolyols | Bayer Aktiengesellschaft (DE) | 2002-11-20 | — | — | EP | disclosed |