⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2508912 | 0.91 | — | — | |
| SCHEMBL1063228 | 0.74 | UMPS (0.49) | — | |
| SCHEMBL187958 | 0.74 | PYGL (0.35) | — | |
| SCHEMBL2512298 | 0.72 | — | — | |
| SCHEMBL3497312 | 0.70 | PYGL (0.34) | — | |
| SCHEMBL10880823 | 0.68 | IMPDH2 (0.40) | — | |
| SCHEMBL850150 | 0.66 | FBP1 (0.49) | — | |
| SCHEMBL2510748 | 0.64 | NT5E (0.39) | — | |
| SCHEMBL164884 | 0.63 | UMPS (0.48) | — | |
| SCHEMBL3504678 | 0.62 | IDUA (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1490678-A4 | COMPOSITIONS AND METHODS FOR MODELING BACILLUS SUBTILIS METABOLISM | GENOMATICA INC (US) | 2007-01-03 | — | — | EP | disclosed |
| EP-1076566-A4 | ATTENUATED MUTANTS OF $i(SALMONELLA) WHICH CONSTITUTIVELY EXPRESS THE Vi ANTIGEN | UNIV MARYLAND (US) | 2005-01-05 | — | — | EP | disclosed |
| EP-1490678-A2 | COMPOSITIONS AND METHODS FOR MODELING BACILLUS SUBTILIS METABOLISM | Genomatica, Inc. (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003081207-A2 | COMPOSITIONS AND METHODS FOR MODELING BACILLUS SUBTILIS METABOLISM | GENOMATICA, INC. (US) | 2003-10-02 | — | — | WO | disclosed |
| EP-1076566-A1 | ATTENUATED MUTANTS OF $i(SALMONELLA) WHICH CONSTITUTIVELY EXPRESS THE Vi ANTIGEN | THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999058146-A1 | ATTENUATED MUTANTS OF SALMONELLA WHICH CONSTITUTIVELY EXPRESS THE Vi ANTIGEN | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 1999-11-18 | — | — | WO | disclosed |
| WO-1997037685-A1 | GUA MUTANTS OF SHIGELLA spp. AND VACCINES CONTAINING THE SAME | UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 1997-10-16 | — | — | WO | disclosed |