⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL669938 | 1.00 | — | — | |
| SCHEMBL2163267 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL28121037 | 0.97 | SMN1; SMN2 (0.57) | — | |
| SCHEMBL8087902 | 0.97 | SMN1; SMN2 (0.57) | — | |
| Malic Acid SCHEMBL27657883 | 0.80 | SMN1; SMN2 (0.83) | — | |
| Glycine SCHEMBL9394864 | 0.79 | GLRA1 (0.48) | — | |
| Succinic Acid SCHEMBL8578421 | 0.79 | LMNA (0.43) | — | |
| Glycine SCHEMBL9703259 | 0.79 | GLRA1 (0.48) | — | |
| SCHEMBL158299 | 0.79 | — | — | |
| SCHEMBL3056738 | 0.79 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110183957-A1 | CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | CHDI FOUNDATION, INC. | 2011-07-28 | — | — | US | disclosed |
| EP-2004670-B1 | PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES | AICURIS GMBH & CO KG (DE) | 2010-01-27 | — | — | EP | disclosed |