⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5160742 | 1.00 | — | — | |
| SCHEMBL3857199 | 0.75 | — | — | |
| SCHEMBL5160421 | 0.75 | — | — | |
| SCHEMBL414574 | 0.75 | — | — | |
| SCHEMBL5160419 | 0.75 | — | — | |
| SCHEMBL7789921 | 0.69 | — | — | |
| SCHEMBL188255 | 0.63 | — | — | |
| SCHEMBL1531065 | 0.63 | — | — | |
| SCHEMBL10562602 | 0.62 | — | — | |
| SCHEMBL1568671 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1233013-B1 | NOVEL PHENYLALANINE DERIVATIVES | AJINOMOTO KK (JP) | 2007-02-28 | — | — | EP | disclosed |
| US-7160874-B2 | Phenylalanine derivatives | AJINOMOTO CO., INC. (JP) | 2007-01-09 | — | — | US | disclosed |
| US-20050070485-A1 | Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine | AJINOMOTO CO., INC. (JP) | 2005-03-31 | — | — | US | disclosed |
| US-6855706-B2 | Phenylalanine derivatives | AJINOMOTO CO., INC. (JP) | 2005-02-15 | — | — | US | disclosed |
| EP-1233013-A1 | NOVEL PHENYLALANINE DERIVATIVES | Ajinomoto Co., Inc. (JP) | 2002-08-21 | — | — | EP | disclosed |