⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17087894 | 1.00 | — | — | |
| SCHEMBL17087906 | 0.79 | — | — | |
| SCHEMBL17087903 | 0.79 | — | — | |
| SCHEMBL6098733 | 0.79 | — | — | |
| SCHEMBL17087886 | 0.78 | OGA (0.32) | — | |
| SCHEMBL17087892 | 0.78 | OGA (0.32) | — | |
| SCHEMBL6101495 | 0.78 | OGA (0.32) | — | |
| SCHEMBL17088022 | 0.76 | — | — | |
| SCHEMBL6101416 | 0.70 | HDAC3 (0.36) | — | |
| SCHEMBL800535 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150259372-A1 | 10-a/BETA-D-ARABINOFURANOSYL-UNDECENES AS POTENTIAL ANTI-MYCOBACTERIAL AGENTS AND PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2015-09-17 | — | — | US | disclosed |