⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25083650 | 0.81 | GBA1 (0.32) | — | |
| SCHEMBL6933752 | 0.80 | CA1 (0.30) | — | |
| SCHEMBL12958027 | 0.78 | — | — | |
| SCHEMBL25083780 | 0.77 | CHRM5 (0.33) | — | |
| SCHEMBL24270550 | 0.77 | SLC5A2 (0.32) | — | |
| SCHEMBL23226254 | 0.77 | SLC5A2 (0.32) | — | |
| SCHEMBL19997414 | 0.77 | SLC5A2 (0.32) | — | |
| SCHEMBL6933346 | 0.77 | SLC5A2 (0.32) | — | |
| SCHEMBL6933251 | 0.77 | CA1 (0.37) | — | |
| SCHEMBL10258938 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9120774-B2 | Novobiocin analogues having modified sugar moieties | UNIVERSITY OF KANSAS (US) | 2015-09-01 | — | — | US | disclosed |
| US-20120252745-A1 | NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-10-04 | — | — | US | disclosed |
| US-20110082098-A1 | NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE | UNIVERSITY OF KANSAS (US) | 2011-04-07 | — | — | US | disclosed |