⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8278 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL16047936 | 0.86 | — | — | |
| SCHEMBL5609364 | 0.86 | — | — | |
| Alcohol SCHEMBL1240463 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL763573 | 0.76 | — | — | |
| SCHEMBL1002050 | 0.76 | — | — | |
| Bromoethane SCHEMBL8559803 | 0.75 | ALDH1A1 (0.35) | — | |
| Hydroquinone SCHEMBL4804304 | 0.75 | ESR1 (0.44) | — | |
| SCHEMBL9628862 | 0.75 | — | — | |
| SCHEMBL27473732 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012076030-A1 | PROCESS FOR THE PREPARATION OF INTERMEDIATE COMPOUNDS USEFUL IN THE PREPARATION OF EZETIMIBE | PHARMATHEN S.A. (GR) | 2012-06-14 | — | — | WO | claimed |
| WO-2012076030-A1 | PROCESS FOR THE PREPARATION OF INTERMEDIATE COMPOUNDS USEFUL IN THE PREPARATION OF EZETIMIBE | PHARMATHEN S.A. (GR) | 2012-06-14 | — | — | WO | disclosed |