⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18095908 | 1.00 | — | — | |
| SCHEMBL19689405 | 0.89 | MEN1 (0.37) | — | |
| SCHEMBL20496682 | 0.85 | CA12 (0.45) | — | |
| SCHEMBL2115166 | 0.78 | HCAR2 (0.45) | — | |
| SCHEMBL2115168 | 0.78 | HCAR2 (0.45) | — | |
| SCHEMBL1970697 | 0.76 | MEN1 (0.36) | — | |
| SCHEMBL2137284 | 0.76 | MEN1 (0.36) | — | |
| SCHEMBL2116104 | 0.75 | MEN1 (0.44) | — | |
| SCHEMBL1967816 | 0.75 | MEN1 (0.44) | — | |
| SCHEMBL20496681 | 0.73 | CA12 (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210023040-A1 | METHODS OF TREATING MULTIPLE SCLEROSIS | BIOGEN MA INC. | 2021-01-28 | — | — | US | disclosed |
| US-20180289655-A1 | Methods and Compositions for the Intravenous Administration of Fumarates for the Treatment of Neurological Diseases | BIOGEN MA INC. (US) | 2018-10-11 | — | — | US | disclosed |
| EP-3270895-A2 | METHODS AND COMPOSITIONS FOR THE INTRAVENOUS ADMINISTRATION OF FUMARATES FOR THE TREATMENT OF NEUROLOGICAL DISEASES | Biogen MA Inc. (US) | 2018-01-24 | — | — | EP | disclosed |
| WO-2016153957-A2 | METHODS AND COMPOSITIONS FOR THE INTRAVENOUS ADMINISTRATION OF FUMARATES FOR THE TREATMENT OF NEUROLOGICAL DISEASES | BIOGEN MA INC. (US) | 2016-09-29 | — | — | WO | disclosed |