⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30896269 | 0.68 | — | — | |
| SCHEMBL13720958 | 0.65 | — | — | |
| SCHEMBL18743302 | 0.64 | — | — | |
| SCHEMBL17226962 | 0.64 | — | — | |
| SCHEMBL25626251 | 0.63 | — | — | |
| SCHEMBL5981137 | 0.62 | — | — | |
| SCHEMBL2102767 | 0.60 | — | — | |
| SCHEMBL11916913 | 0.60 | — | — | |
| SCHEMBL14136823 | 0.60 | — | — | |
| SCHEMBL21441640 | 0.60 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970336-B1 | TETRAHYDROPYRROLOTHIAZINE COMPOUNDS | LILLY CO ELI (US) | 2017-10-04 | — | — | EP | disclosed |
| WO-2017043636-A1 | NOVEL BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE OF SAME | 大日本住友製薬株式会社 | 2017-03-16 | — | — | WO | disclosed |
| WO-2016013533-A1 | CHARGE TRANSPORT MATERIAL | 日産化学工業株式会社 | 2016-01-28 | — | — | WO | disclosed |
| EP-2640722-B1 | PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2015-11-04 | — | — | EP | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| EP-2189449-A1 | AMINOPYRAZOLE AMIDE DERIVATIVE | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2010-05-26 | — | — | EP | disclosed |