⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5644419 | 0.75 | — | — | |
| SCHEMBL15180437 | 0.75 | — | — | |
| SCHEMBL170573 | 0.75 | — | — | |
| SCHEMBL316298 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL360812 | 0.73 | CCR1 (0.41) | — | |
| SCHEMBL1223407 | 0.71 | — | — | |
| SCHEMBL4928895 | 0.71 | — | — | |
| SCHEMBL13649122 | 0.71 | — | — | |
| SCHEMBL1222473 | 0.71 | — | — | |
| SCHEMBL1263654 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020161663-A1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | JANSSEN BIOTECH, INC. (US) | 2020-08-13 | — | — | WO | disclosed |