⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1301996 | 0.85 | PNP (0.33) | — | |
| SCHEMBL2470033 | 0.77 | PNP (0.42) | — | |
| SCHEMBL8886026 | 0.73 | PNP (0.35) | — | |
| SCHEMBL20866 | 0.72 | ATAD2 (0.41) | — | |
| SCHEMBL2051359 | 0.72 | PNP (0.34) | — | |
| SCHEMBL6168437 | 0.72 | PNP (0.34) | — | |
| SCHEMBL20576 | 0.72 | PNP (0.34) | — | |
| SCHEMBL1828928 | 0.72 | PNP (0.34) | — | |
| SCHEMBL9960806 | 0.71 | PNP (0.38) | — | |
| SCHEMBL13733587 | 0.71 | HPRT1 (0.35) | — |
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-20110229415-A1 | SEMI-SYNTHETIC ANTIBODIES AS RECOGNITION ELEMENTS | UNIVERSITY OF KENTUCKY | 2011-09-22 | — | — | US | disclosed |