⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2865123 | 0.81 | CD44 (0.38) | — | |
| SCHEMBL3232505 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL28121126 | 0.78 | ERN1 (0.34) | — | |
| SCHEMBL28869513 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL28184037 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL28225368 | 0.78 | CD44 (0.45) | — | |
| SCHEMBL2624867 | 0.78 | G6PD (0.42) | — | |
| SCHEMBL3437822 | 0.78 | CYP2A6 (0.30) | — | |
| SCHEMBL27634444 | 0.73 | ERN1 (0.34) | — | |
| Formic Acid SCHEMBL27955273 | 0.73 | CA1 (0.33) | — |
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-9006454-B2 | Dihydroorotate dehydrogenase inhibitors | MERCK SERONO S.A. (CH) | 2015-04-14 | — | — | US | disclosed |
| US-20120028959-A1 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | MERCK SERONO S.A. (CH) | 2012-02-02 | — | — | US | disclosed |