⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4871603 | 1.00 | — | — | |
| SCHEMBL4737689 | 0.67 | HSD17B10 (0.32) | — | |
| SCHEMBL7701653 | 0.65 | GSK3A (0.32) | — | |
| SCHEMBL11820953 | 0.65 | — | — | |
| SCHEMBL7113855 | 0.64 | — | — | |
| SCHEMBL2227308 | 0.64 | — | — | |
| SCHEMBL12472883 | 0.64 | — | — | |
| SCHEMBL4066270 | 0.64 | — | — | |
| SCHEMBL8904779 | 0.63 | POLB (0.32) | — | |
| SCHEMBL8055286 | 0.61 | GPR35 (0.34) | — |
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-7326790-B2 | Diphenylisoxazole compounds and hydro isomers thereof | RIGEL PHARMACEUTICALS, INC. (US) | 2008-02-05 | — | — | US | disclosed |
| EP-1620412-A2 | HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF | Rigel Pharmaceuticals, Inc. (US) | 2006-02-01 | — | — | EP | disclosed |
| US-20040254227-A1 | Heterocyclic compounds and hydro isomers thereof | MIDCAP FINANCIAL TRUST | 2004-12-16 | — | — | US | disclosed |
| WO-2004099165-A2 | HETEROCYCLIC COMPOUNDS AND HYDRO ISOMERS THEREOF | RIGEL PHARMACEUTICALS, INC. (US) | 2004-11-18 | — | — | WO | disclosed |