⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30688256 | 0.91 | ALDH1A1 (0.42) | — | |
| SCHEMBL1966553 | 0.89 | ALDH1A1 (0.45) | — | |
| SCHEMBL28320035 | 0.86 | GABRP (0.43) | — | |
| SCHEMBL207843 | 0.85 | MAPT (0.39) | — | |
| SCHEMBL28515847 | 0.83 | NAAA (0.35) | — | |
| SCHEMBL7508338 | 0.80 | — | — | |
| SCHEMBL879299 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL21357046 | 0.78 | — | — | |
| SCHEMBL4441643 | 0.78 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL3972242 | 0.78 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006009338-A1 | PROCESS FOR PREPARING CHIRAL SUBSTITUTED CARBOXYLIC ACID | KIM JAE-DONG (KR) | 2006-01-26 | — | — | WO | disclosed |