⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3506967 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL65108 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL7285171 | 0.64 | — | — | |
| SCHEMBL8404454 | 0.63 | — | — | |
| SCHEMBL8656046 | 0.63 | — | — | |
| SCHEMBL9415927 | 0.62 | — | — | |
| SCHEMBL2852145 | 0.62 | NOTUM (0.32) | — | |
| SCHEMBL1040746 | 0.62 | NOTUM (0.32) | — | |
| SCHEMBL22494204 | 0.62 | — | — | |
| SCHEMBL102334 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730277-A2 | LIGATIONAL ENCODING USING BUILDING BLOCK OLIGONUCLEOTIDES | Nuevolution A/S (DK) | 2006-12-13 | — | — | EP | claimed |
| WO-2005090566-A2 | LIGATIONAL ENCODING USING BUILDING BLOCK OLIGONUCLEOTIDES | NUEVOLUTION A/S (DK) | 2005-09-29 | — | — | WO | claimed |
| EP-1608748-A2 | LIGATIONAL ENCODING OF SMALL MOLECULES | Nuevolution A/S (DK) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004083427-A2 | LIGATIONAL ENCODING OF SMALL MOLECULES | NUEVOLUTION A/S (DK) | 2004-09-30 | — | — | WO | disclosed |