⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5844375 | 0.80 | CRHR1 (0.32) | — | |
| SCHEMBL5844383 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL5846828 | 0.61 | GRIN2D (0.30) | — | |
| SCHEMBL5845330 | 0.61 | SCN4A (0.31) | — | |
| SCHEMBL5844095 | 0.61 | AR (0.32) | — | |
| SCHEMBL4736746 | 0.60 | — | — | |
| SCHEMBL5845395 | 0.60 | POLB (0.32) | — | |
| SCHEMBL8879969 | 0.56 | AR (0.39) | — | |
| SCHEMBL27565038 | 0.55 | — | — | |
| SCHEMBL7359971 | 0.54 | — | — |
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-6844351-B1 | Corticotropin releasing factor antagonists | PFIZER INC. (US) | 2005-01-18 | — | — | US | disclosed |