⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5843065 | 0.71 | — | — | |
| SCHEMBL13778455 | 0.69 | — | — | |
| SCHEMBL129372 | 0.64 | — | — | |
| SCHEMBL12381080 | 0.61 | ADH1B (0.35) | — | |
| SCHEMBL3007652 | 0.60 | — | — | |
| Isobutyraldehyde SCHEMBL2635854 | 0.60 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL788159 | 0.60 | ADH1B (0.38) | — | |
| SCHEMBL31332234 | 0.60 | — | — | |
| Isobutyraldehyde SCHEMBL2996 | 0.60 | — | — | |
| Isobutyraldehyde SCHEMBL18287436 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103110635-A | Histamine H3 receptor antagonist | NOVO NORDISK AS | 2013-05-22 | — | — | CN | disclosed |
| WO-2001056358-A2 | ENHANCED PROPERTIED PESTICIDES | ROHM AND HAAS COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |