⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4256285 | 0.75 | — | — | |
| SCHEMBL1665543 | 0.69 | — | — | |
| SCHEMBL514688 | 0.69 | — | — | |
| SCHEMBL27627212 | 0.69 | — | — | |
| 2-Methylpentanal SCHEMBL1939674 | 0.67 | — | — | |
| 2-Methylpentanal SCHEMBL3235073 | 0.67 | — | — | |
| SCHEMBL11061774 | 0.67 | — | — | |
| 2-Methylpentanal SCHEMBL43746 | 0.67 | — | — | |
| 2-Methylpentanal SCHEMBL7749332 | 0.67 | TSHR (0.40) | — | |
| SCHEMBL28626053 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130005018-A1 | Polynucleotides Encoding Engineered Ketoreductase Polypeptides | PFIZER, INC. (US) | 2013-01-03 | — | — | US | disclosed |