⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17988542 | 0.94 | — | — | |
| SCHEMBL17988562 | 0.92 | CYP3A4 (0.30) | — | |
| SCHEMBL17988544 | 0.88 | HTT (0.31) | — | |
| SCHEMBL18029528 | 0.81 | HCAR2 (0.36) | — | |
| SCHEMBL17991891 | 0.81 | HCAR2 (0.40) | — | |
| SCHEMBL17991875 | 0.76 | HCAR2 (0.49) | — | |
| SCHEMBL17988554 | 0.76 | HCAR2 (0.44) | — | |
| SCHEMBL17991872 | 0.75 | HTT (0.36) | — | |
| SCHEMBL17991873 | 0.75 | KMT2A (0.43) | — | |
| SCHEMBL17988566 | 0.75 | HCAR2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9925191-B2 | Fumarate compounds, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2018-03-27 | — | — | US | disclosed |
| US-20160297770-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-10-13 | — | — | US | disclosed |
| US-20160296522-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-10-13 | — | — | US | disclosed |