⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1509789 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL28606494 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL9113394 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL23824848 | 0.84 | SOAT1 (0.35) | — | |
| SCHEMBL8459389 | 0.81 | MAPT (0.35) | — | |
| SCHEMBL8459388 | 0.81 | MAPT (0.35) | — | |
| Methyl Alcohol SCHEMBL27813915 | 0.81 | ALDH1A1 (0.37) | — | |
| SCHEMBL101280 | 0.81 | — | — | |
| Acetone SCHEMBL27302512 | 0.78 | ALDH1A1 (0.42) | — | |
| Charcoal, Activated SCHEMBL7916448 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0543739-B1 | Process for the preparation of alkyl adipates | RHONE POULENC CHIMIE (FR) | 1996-01-31 | — | — | EP | claimed |