⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14781820 | 1.00 | — | — | |
| SCHEMBL10109714 | 0.78 | — | — | |
| SCHEMBL10123475 | 0.78 | NLRP3 (0.37) | — | |
| SCHEMBL12684665 | 0.76 | — | — | |
| SCHEMBL264798 | 0.76 | — | — | |
| SCHEMBL26079654 | 0.74 | — | — | |
| SCHEMBL10066091 | 0.74 | NR1H4 (0.34) | — | |
| SCHEMBL9968974 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL16431219 | 0.71 | NR1H4 (0.38) | — | |
| SCHEMBL5533407 | 0.65 | — | — |
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-8168583-B2 | 2-fluoronucleosides | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2012-05-01 | — | — | US | disclosed |
| US-20100173863-A1 | 2-Fluoronucleosides | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-07-08 | — | — | US | disclosed |
| US-7307065-B2 | 2′-Fluoronucleosides | EMORY UNIVERSITY (US) | 2007-12-11 | — | — | US | disclosed |