⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9844148 | 0.80 | KMT2A (0.41) | — | |
| SCHEMBL4558972 | 0.75 | LMNA (0.47) | — | |
| SCHEMBL17962437 | 0.69 | KMT2A (0.40) | — | |
| SCHEMBL9321117 | 0.67 | ALDH1A1 (0.61) | — | |
| SCHEMBL4561031 | 0.67 | TP53 (0.54) | — | |
| SCHEMBL11815719 | 0.66 | ALDH1A1 (0.59) | — | |
| SCHEMBL27666438 | 0.66 | NPSR1 (0.50) | — | |
| SCHEMBL9723407 | 0.65 | KMT2A (0.39) | — | |
| SCHEMBL28700866 | 0.64 | LMNA (0.51) | — | |
| Isopropylbenzene SCHEMBL27527935 | 0.64 | AKR1B1 (0.57) | — |
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-0433662-A2 | Acat inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-06-26 | — | — | EP | claimed |