⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1809933 | 0.85 | CTSL (0.45) | — | |
| SCHEMBL5525454 | 0.84 | IDO1 (0.41) | — | |
| SCHEMBL5848185 | 0.80 | TRPA1 (0.42) | — | |
| SCHEMBL14451415 | 0.80 | TRPA1 (0.44) | — | |
| SCHEMBL5524579 | 0.79 | GPR119 (0.44) | — | |
| SCHEMBL5514770 | 0.79 | CARM1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL5515267 | 0.79 | TRPA1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL5515266 | 0.79 | TRPA1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL5515265 | 0.79 | TRPA1 (0.43) | — | |
| SCHEMBL5522560 | 0.78 | L3MBTL1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070167452-A1 | Therapeutic amide derivatives | PFIZER, INC. | 2007-07-19 | — | — | US | disclosed |
| US-20070167452-A1 | Therapeutic amide derivatives | PFIZER, INC. | 2007-07-19 | — | — | US | disclosed |
| US-20070167452-A1 | Therapeutic amide derivatives | PFIZER, INC. | 2007-07-19 | — | — | US | disclosed |
| 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 |
| WO-2005080317-A2 | THERAPEUTIC AMIDE DERIVATIVES | PFIZER JAPAN, INC. (JP) | 2005-09-01 | — | — | WO | disclosed |