⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18595321 | 1.00 | — | — | |
| SCHEMBL18656871 | 0.77 | — | — | |
| SCHEMBL20283075 | 0.77 | — | — | |
| SCHEMBL15047185 | 0.74 | — | — | |
| SCHEMBL16090746 | 0.74 | — | — | |
| SCHEMBL11077257 | 0.73 | — | — | |
| SCHEMBL13658772 | 0.73 | — | — | |
| SCHEMBL18656872 | 0.72 | — | — | |
| SCHEMBL765501 | 0.72 | — | — | |
| SCHEMBL22066508 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9944666-B2 | Compounds that are S1P modulating agents and/or ATX modulating agents | BIOGEN MA INC. (US) | 2018-04-17 | — | — | US | disclosed |
| US-20170174710-A1 | COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS | BIOGEN MA INC. | 2017-06-22 | — | — | US | disclosed |