⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17988567 | 0.92 | CHRM1 (0.30) | — | |
| SCHEMBL17988524 | 0.83 | — | — | |
| SCHEMBL17988539 | 0.82 | HCAR2 (0.37) | — | |
| SCHEMBL17988537 | 0.80 | HCAR2 (0.34) | — | |
| SCHEMBL18133598 | 0.79 | CA12 (0.30) | — | |
| SCHEMBL17988536 | 0.79 | HCAR2 (0.47) | — | |
| SCHEMBL17988538 | 0.78 | HCAR2 (0.49) | — | |
| SCHEMBL17988532 | 0.77 | HCAR2 (0.35) | — | |
| SCHEMBL17988529 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL17988534 | 0.77 | HCAR2 (0.32) | — |
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-9409872-B1 | Fumarate compounds, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2016-08-09 | — | — | US | disclosed |