⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10719706 | 0.81 | — | — | |
| SCHEMBL3290890 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL7639194 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL5531852 | 0.76 | — | — | |
| SCHEMBL4347890 | 0.68 | CA1 (0.30) | — | |
| SCHEMBL10022879 | 0.65 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL1926425 | 0.65 | — | — | |
| SCHEMBL6794036 | 0.65 | — | — | |
| SCHEMBL16606334 | 0.63 | — | — | |
| SCHEMBL12549522 | 0.63 | — | — |
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-7767811-B2 | Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids | BRANDEIS UNIVERSITY (US) | 2010-08-03 | — | — | US | disclosed |