⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26968744 | 1.00 | — | — | |
| SCHEMBL14380455 | 1.00 | — | — | |
| SCHEMBL18526293 | 0.77 | PPM1D (0.32) | — | |
| SCHEMBL15355853 | 0.76 | PPM1D (0.30) | — | |
| SCHEMBL15345938 | 0.76 | PPM1D (0.30) | — | |
| SCHEMBL15345939 | 0.76 | PPM1D (0.30) | — | |
| SCHEMBL27221142 | 0.76 | — | — | |
| SCHEMBL24059134 | 0.75 | PPM1D (0.33) | — | |
| SCHEMBL29487067 | 0.75 | — | — | |
| SCHEMBL24059203 | 0.75 | PPM1D (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8212011-B2 | Novobiocin analogues | UNIVERSITY OF KANSAS (US) | 2012-07-03 | — | — | US | disclosed |
| US-20110082098-A1 | NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE | UNIVERSITY OF KANSAS (US) | 2011-04-07 | — | — | US | disclosed |
| US-7608594-B2 | Novobiocin analogues as anticancer agents | UNIVERSITY OF KANSAS (US) | 2009-10-27 | — | — | US | disclosed |
| US-20090187014-A1 | Novobiocin Analogues | UNIVERSITY OF KANSAS | 2009-07-23 | — | — | US | disclosed |