⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27576928 | 0.76 | — | — | |
| SCHEMBL27544707 | 0.74 | — | — | |
| SCHEMBL27471356 | 0.72 | — | — | |
| SCHEMBL6721969 | 0.64 | — | — | |
| SCHEMBL27637526 | 0.61 | — | — | |
| SCHEMBL6725554 | 0.61 | — | — | |
| SCHEMBL27991571 | 0.60 | — | — | |
| SCHEMBL14129721 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL6719847 | 0.56 | — | — | |
| SCHEMBL6720289 | 0.56 | — | — |
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-1364161-A | N-substituted perhydrodiazines | BASF AG (DE) | 2002-08-14 | — | — | CN | disclosed |
| CN-1362950-A | Substituted ureas | BASF AG (DE) | 2002-08-07 | — | — | CN | disclosed |