⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6883337 | 0.81 | DRD2 (0.34) | — | |
| SCHEMBL6156160 | 0.80 | DRD2 (0.34) | — | |
| SCHEMBL6156378 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL7792096 | 0.78 | CNR2 (0.40) | — | |
| SCHEMBL2167083 | 0.72 | CHRM2 (0.41) | — | |
| SCHEMBL7798002 | 0.70 | CNR2 (0.43) | — | |
| SCHEMBL7047139 | 0.69 | BACE1 (0.33) | — | |
| SCHEMBL4824564 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL754836 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL30504079 | 0.68 | TUBB4A (0.46) | — |
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-6689922-B1 | BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION | GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) | 2004-02-10 | — | — | US | disclosed |