⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1362094 | 0.76 | — | — | |
| SCHEMBL6403541 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL7662490 | 0.73 | BRD4 (0.39) | — | |
| SCHEMBL23318493 | 0.71 | CA2 (0.33) | — | |
| SCHEMBL8182986 | 0.68 | MAOA (0.39) | — | |
| SCHEMBL736870 | 0.68 | — | — | |
| SCHEMBL8180406 | 0.67 | BRD4 (0.43) | — | |
| SCHEMBL8890406 | 0.67 | CA3 (0.42) | — | |
| SCHEMBL30671761 | 0.66 | LMNA (0.41) | — | |
| SCHEMBL29356614 | 0.66 | LMNA (0.41) | — |
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-1069640-C | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 2001-08-15 | — | — | CN | disclosed |
| CN-1132201-A | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 1996-10-02 | — | — | CN | disclosed |