⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9861320 | 0.75 | TP53 (0.35) | — | |
| SCHEMBL9314408 | 0.73 | KDM4E (0.34) | — | |
| SCHEMBL9314390 | 0.73 | THRB (0.30) | — | |
| SCHEMBL9314817 | 0.73 | THRB (0.30) | — | |
| SCHEMBL9861945 | 0.71 | — | — | |
| SCHEMBL9861393 | 0.67 | TP53 (0.34) | — | |
| SCHEMBL3031697 | 0.61 | ALDH1A1 (0.37) | — | |
| SCHEMBL7117260 | 0.60 | ALDH1A1 (0.35) | — | |
| SCHEMBL9861608 | 0.59 | ALDH1A1 (0.30) | — | |
| Perflenapent SCHEMBL5186220 | 0.59 | LMNA (0.47) | — |
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-5302752-A | Acetic acid derivatives and their production | ETHYL CORPORATION (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0426333-A2 | Acetic acid derivatives and their production | ETHYL CORPORATION (US) | 1991-05-08 | — | — | EP | disclosed |