⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8191873 | 0.72 | — | — | |
| SCHEMBL7940763 | 0.68 | — | — | |
| SCHEMBL7940466 | 0.66 | — | — | |
| SCHEMBL5243714 | 0.64 | — | — | |
| SCHEMBL2596461 | 0.64 | TSHR (0.30) | — | |
| SCHEMBL47719 | 0.61 | — | — | |
| SCHEMBL704917 | 0.61 | — | — | |
| SCHEMBL13769067 | 0.61 | — | — | |
| SCHEMBL21126645 | 0.61 | — | — | |
| SCHEMBL22863022 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1537488-A4 | SYSTEMS AND METHODS FOR PREDICTING OLIGONUCLEOTIDE MELTING TEMPERATURES (TMS) | EPOCH BIOSCIENCES INC (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1537488-A2 | SYSTEMS AND METHODS FOR PREDICTING OLIGONUCLEOTIDE MELTING TEMPERATURES (TMS) | Epoch Biosciences, Inc. (US) | 2005-06-08 | — | — | EP | disclosed |
| WO-2003107144-A2 | SYSTEMS AND METHODS FOR PREDICTING OLIGONUCLEOTIDE MELTING TEMPERATURES (TMS) | EPOCH BIOSCIENCES, INC. (US) | 2003-12-24 | — | — | WO | disclosed |