⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4183880 | 0.87 | HTR7 (0.49) | — | |
| SCHEMBL4191416 | 0.80 | GAA (0.42) | — | |
| SCHEMBL4180507 | 0.73 | MAPK1 (0.44) | — | |
| SCHEMBL28959996 | 0.71 | BCHE (0.55) | — | |
| SCHEMBL7606382 | 0.69 | SLC6A1 (0.57) | — | |
| Hydrochloric Acid SCHEMBL8715054 | 0.68 | SLC6A1 (0.56) | — | |
| SCHEMBL5512243 | 0.68 | MAPK1 (0.46) | — | |
| SCHEMBL3839600 | 0.67 | CYP1A2 (0.55) | — | |
| SCHEMBL8909767 | 0.67 | LTA4H (0.65) | — | |
| SCHEMBL8909782 | 0.67 | LTA4H (0.65) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090137637-A1 | Tetrazolyl-Methylene Amino Acid Derivatives | PFIZER INC. (US) | 2009-05-28 | — | — | US | disclosed |
| EP-1828162-A1 | TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES | Warner-Lambert Company LLC (US) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006061706-A1 | TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES | WARNER-LAMBERT COMPANY LLC (US) | 2006-06-15 | — | — | WO | disclosed |