⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11415521 | 0.76 | — | — | |
| SCHEMBL2780635 | 0.71 | — | — | |
| SCHEMBL3704589 | 0.71 | — | — | |
| SCHEMBL27431568 | 0.71 | — | — | |
| SCHEMBL27398851 | 0.64 | — | — | |
| SCHEMBL1105675 | 0.64 | — | — | |
| SCHEMBL31104560 | 0.64 | — | — | |
| SCHEMBL12570752 | 0.64 | — | — | |
| SCHEMBL25437358 | 0.62 | — | — | |
| SCHEMBL31696708 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175302-A | Nucleophilic fluoroalkylation of aldehydes | ETHYL CORPORATION (US) | 1992-12-29 | — | — | US | disclosed |
| US-4999429-A | Process for the preparation of α,α,β-1-trifluoro-1-olefinic derivatives | ETHYL CORPORATION (US) | 1991-03-12 | — | — | US | disclosed |
| US-4837327-A | Process for nucleophilic fluoroalkylation of aldehydes | ETHYL CORPORATION (US) | 1989-06-06 | — | — | US | disclosed |