⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27486039 | 0.81 | — | — | |
| SCHEMBL5842971 | 0.76 | XIAP (0.37) | — | |
| SCHEMBL27318155 | 0.74 | CRHR1 (0.36) | — | |
| SCHEMBL9876231 | 0.64 | TSHR (0.35) | — | |
| SCHEMBL27582869 | 0.63 | — | — | |
| SCHEMBL10965241 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL27981054 | 0.62 | AOC1 (0.30) | — | |
| SCHEMBL276022 | 0.61 | — | — | |
| SCHEMBL30158577 | 0.60 | GAA (0.41) | — | |
| Hydrochloric Acid SCHEMBL27500871 | 0.60 | AOC1 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1152021-C | Corticotropin release factors antagonistic agent | ������ҩ������˾ | 2004-06-02 | — | — | CN | disclosed |