⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3475223 | 0.94 | — | — | |
| SCHEMBL9026 | 0.94 | — | — | |
| SCHEMBL10679392 | 0.94 | TSHR (0.39) | — | |
| SCHEMBL9027 | 0.94 | — | — | |
| Alcohol SCHEMBL6510151 | 0.92 | — | — | |
| Propionaldehyde SCHEMBL6357378 | 0.92 | ALDH1A1 (0.50) | — | |
| SCHEMBL25341328 | 0.91 | — | — | |
| SCHEMBL9765097 | 0.91 | — | — | |
| Water SCHEMBL1204298 | 0.91 | — | — | |
| Methane SCHEMBL22130032 | 0.91 | — | — |
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-20080071120-A1 | Catalyst and Method for Hydrogenation of Carbonyl Compounds | BASF AKTIENGESELLSCHAFT (DE) | 2008-03-20 | — | — | US | disclosed |