⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3637089 | 0.84 | BRD4 (0.30) | — | |
| SCHEMBL7922128 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL13763124 | 0.73 | TYMP (0.40) | — | |
| SCHEMBL29455225 | 0.73 | TYMP (0.40) | — | |
| SCHEMBL17222397 | 0.73 | KDM4E (0.47) | — | |
| SCHEMBL23865606 | 0.72 | TYMP (0.31) | — | |
| SCHEMBL14570613 | 0.72 | TYMP (0.31) | — | |
| SCHEMBL6932401 | 0.72 | TYMP (0.32) | — | |
| SCHEMBL14764054 | 0.72 | TYMS (0.34) | — | |
| SCHEMBL13337887 | 0.71 | — | — |
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-20130158243-A1 | PROCESS FOR CONJUGATION OF NHS ESTERS WITH OLIGONUCLEOTIDES | SIGMA-ALDRICH CO. LLC (US) | 2013-06-20 | — | — | US | disclosed |