⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL347412 | 0.57 | — | — | |
| SCHEMBL1196421 | 0.56 | — | — | |
| SCHEMBL13055323 | 0.55 | — | — | |
| SCHEMBL9696602 | 0.55 | — | — | |
| SCHEMBL5943316 | 0.55 | — | — | |
| SCHEMBL763305 | 0.55 | — | — | |
| SCHEMBL8271642 | 0.55 | — | — | |
| SCHEMBL3614503 | 0.55 | — | — | |
| SCHEMBL8508860 | 0.52 | — | — | |
| SCHEMBL347420 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3798214-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2021-03-31 | — | — | EP | disclosed |
| EP-3647311-A1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | Beijing Tide Pharmaceutical Co., Ltd. (CN) | 2020-05-06 | — | — | EP | disclosed |
| WO-2017103670-A1 | 1H-IMIDAZO[4,5-B]PYRIDINYL AND 2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDINYL HETEROCYCLIC BET BROMODOMAIN INHIBITORS | ZENITH EPIGENETICS LID. (CA) | 2017-06-22 | — | — | WO | disclosed |
| US-20150150858-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER | SUNESIS PHARMACEUTICALS, INC. | 2015-06-04 | — | — | US | disclosed |