⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11844645 | 0.77 | NPC1 (0.48) | — | |
| SCHEMBL5301634 | 0.77 | NPC1 (0.48) | — | |
| SCHEMBL8718058 | 0.77 | NPC1 (0.48) | — | |
| SCHEMBL11693067 | 0.73 | NPC1 (0.61) | — | |
| SCHEMBL17446281 | 0.73 | NPC1 (0.61) | — | |
| SCHEMBL11693056 | 0.73 | NPC1 (0.61) | — | |
| SCHEMBL50078 | 0.73 | ACHE (0.57) | — | |
| SCHEMBL255052 | 0.73 | NPC1 (0.61) | — | |
| SCHEMBL1405393 | 0.73 | NPC1 (0.61) | — | |
| P-Xylene SCHEMBL28206161 | 0.71 | ACHE (0.80) | — |
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-6610710-B2 | Inflammatory bowel diseases, diabetes, tumor proliferation and tumor metastasis. | AJINOMOTO CO., INC. (JP) | 2003-08-26 | — | — | US | disclosed |
| US-20030114490-A1 | New phenylalanine derivatives | AJINOMOTO CO. INC (JP) | 2003-06-19 | — | — | US | disclosed |
| EP-1243577-A1 | NOVEL PHENYLALANINE DERIVATIVES | Ajinomoto Co., Inc. (JP) | 2002-09-25 | — | — | EP | disclosed |