⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1593715 | 0.98 | — | — | |
| SCHEMBL27984987 | 0.82 | — | — | |
| SCHEMBL1594227 | 0.80 | — | — | |
| SCHEMBL29453566 | 0.80 | — | — | |
| SCHEMBL6557944 | 0.80 | — | — | |
| SCHEMBL3947676 | 0.78 | — | — | |
| SCHEMBL3424166 | 0.78 | — | — | |
| SCHEMBL9717670 | 0.78 | — | — | |
| SCHEMBL3988090 | 0.78 | — | — | |
| SCHEMBL9483620 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4136121-A | PROCESS FOR THE PREPARATION OF FLUORINE-CONTAINING KETONES | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-01-23 | — | — | US | disclosed |
| US-4118398-A | Perfluorinated ethers | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-10-03 | — | — | US | disclosed |
| US-4067884-A | Fluorine containing ketones | HOECHST AKTIENGESELLSCHAFT (DT) | 1978-01-10 | — | — | US | disclosed |
| US-4052277-A | PROCESS FOR PREPARING PERFLUORINATED ETHERS | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-10-04 | — | — | US | disclosed |