⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10183868 | 0.88 | PI4KA (0.32) | — | |
| SCHEMBL18026288 | 0.85 | — | — | |
| SCHEMBL18026286 | 0.81 | — | — | |
| SCHEMBL10149461 | 0.78 | — | — | |
| SCHEMBL14551315 | 0.73 | CA2 (0.30) | — | |
| SCHEMBL866263 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL10183344 | 0.71 | — | — | |
| SCHEMBL10183340 | 0.71 | — | — | |
| SCHEMBL17175093 | 0.71 | — | — | |
| SCHEMBL10184229 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160244475-A1 | SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER INC. (US) | 2016-08-25 | — | — | US | disclosed |
| US-20120077814-A1 | SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES | WANG ZHONG (US) | 2012-03-29 | — | — | US | disclosed |