⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2929108 | 1.00 | — | — | |
| SCHEMBL25673513 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1466672 | 0.97 | SLC1A3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL836692 | 0.97 | SLC1A3 (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL2496872 | 0.85 | DPP8 (0.38) | — | |
| SCHEMBL8207593 | 0.80 | SLC1A2 (0.42) | — | |
| SCHEMBL12709894 | 0.80 | DPP4 (0.39) | — | |
| SCHEMBL11342489 | 0.80 | SLC1A2 (0.42) | — | |
| SCHEMBL4103974 | 0.79 | — | — | |
| SCHEMBL15765659 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230142248-A1 | METHOD FOR RACEMIC PREPARATION OF CHIRAL B-AMINO ACIDS AND DERIVATIVES THEREOF | ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) | 2023-05-11 | — | — | US | disclosed |
| US-20130190289-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-07-25 | — | — | US | disclosed |
| US-20130190289-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-07-25 | — | — | US | disclosed |
| US-20130045962-A1 | PEPTIDE DEFORMYLASE INHIBITORS | GLAXOSMITHKLINE LLC | 2013-02-21 | — | — | US | disclosed |
| WO-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | WO | disclosed |
| US-7893056-B2 | Peptide deformylase inhibitors | GLAXOSMITHKLINE LLC (US) | 2011-02-22 | — | — | US | disclosed |
| US-20090306066-A1 | PEPTIDE DEFORMYLASE INHIBITORS | GLAXOSMITHKLINE LLC | 2009-12-10 | — | — | US | disclosed |