⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8609690 | 0.72 | — | — | |
| SCHEMBL17675816 | 0.64 | — | — | |
| SCHEMBL17675839 | 0.59 | — | — | |
| SCHEMBL15894639 | 0.54 | — | — | |
| Propane SCHEMBL27523266 | 0.52 | — | — | |
| SCHEMBL8402347 | 0.50 | — | — | |
| SCHEMBL8405257 | 0.50 | — | — | |
| SCHEMBL143638 | 0.50 | — | — | |
| SCHEMBL135047 | 0.49 | — | — | |
| Ethyl Chloride SCHEMBL9715885 | 0.49 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5207876-A | Ketone, ether or ester extraction agents | Berg, Lloyd (US) | 1993-05-04 | — | — | US | claimed |
| US-5207876-A | Ketone, ether or ester extraction agents | Berg, Lloyd (US) | 1993-05-04 | — | — | US | disclosed |