⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2658924 | 1.00 | — | — | |
| SCHEMBL2454242 | 0.74 | — | — | |
| SCHEMBL1159494 | 0.72 | — | — | |
| SCHEMBL18173528 | 0.72 | — | — | |
| SCHEMBL25565 | 0.71 | — | — | |
| SCHEMBL4425211 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9073052 | 0.70 | — | — | |
| SCHEMBL8154823 | 0.69 | GRIK1 (0.31) | — | |
| SCHEMBL1895517 | 0.69 | — | — | |
| SCHEMBL9252395 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0564588-A4 | HEXA- AND HEPTAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS | — | 1993-12-29 | — | — | EP | claimed |
| EP-0564588-A1 | HEXA- AND HEPTAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS. | ABBOTT LAB (US) | 1993-10-13 | — | — | EP | claimed |
| EP-0998488-B1 | POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2004-03-17 | — | — | EP | disclosed |
| US-6423869-B1 | BACTERICIDES, ANTIULCER AGENTS | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 2002-07-23 | — | — | US | disclosed |
| EP-0998488-A1 | POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY | Takeda Chemical Industries, Ltd. (JP) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999002549-A1 | POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-01-21 | — | — | WO | disclosed |