⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15193782 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL17094524 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL5725934 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL17475524 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL343583 | 0.79 | ALOX5 (0.35) | — | |
| SCHEMBL343584 | 0.79 | ALOX5 (0.35) | — | |
| SCHEMBL5521995 | 0.77 | LMNA (0.36) | — | |
| SCHEMBL5522000 | 0.77 | LMNA (0.36) | — | |
| SCHEMBL16292529 | 0.76 | ALOX5 (0.39) | — | |
| SCHEMBL1583907 | 0.76 | NR1H2 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1716100-A2 | THERAPEUTIC AMIDE DERIVATIVES | Pfizer, Inc. (US) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005080317-A2 | THERAPEUTIC AMIDE DERIVATIVES | PFIZER JAPAN, INC. (JP) | 2005-09-01 | — | — | WO | disclosed |