⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13485259 | 1.00 | — | — | |
| SCHEMBL14038561 | 1.00 | — | — | |
| SCHEMBL17019778 | 0.84 | — | — | |
| SCHEMBL11121399 | 0.84 | — | — | |
| SCHEMBL18997773 | 0.77 | — | — | |
| SCHEMBL21443781 | 0.77 | — | — | |
| SCHEMBL16864107 | 0.77 | — | — | |
| SCHEMBL263969 | 0.77 | — | — | |
| SCHEMBL13589348 | 0.75 | — | — | |
| SCHEMBL14547340 | 0.74 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2299824-B1 | PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH | MERCK SHARP & DOHME (US) | 2013-06-19 | — | — | EP | disclosed |