⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6524112 | 1.00 | ALDH1A1 (0.32) | — | |
| SCHEMBL27998100 | 0.84 | — | — | |
| SCHEMBL4354446 | 0.80 | — | — | |
| SCHEMBL18196975 | 0.66 | — | — | |
| SCHEMBL19794315 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL2540102 | 0.60 | — | — | |
| SCHEMBL17313094 | 0.60 | — | — | |
| SCHEMBL17313075 | 0.60 | — | — | |
| SCHEMBL17313073 | 0.60 | — | — | |
| SCHEMBL184319 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009152025-A1 | IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH | MERCK & CO., INC. (US) | 2009-12-17 | — | — | WO | disclosed |