⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3671922 | 0.72 | — | — | |
| SCHEMBL27376179 | 0.68 | — | — | |
| SCHEMBL15074799 | 0.68 | — | — | |
| SCHEMBL8824525 | 0.68 | — | — | |
| SCHEMBL13767411 | 0.68 | — | — | |
| SCHEMBL8798916 | 0.68 | — | — | |
| SCHEMBL13067969 | 0.68 | — | — | |
| SCHEMBL16971015 | 0.67 | — | — | |
| SCHEMBL17787599 | 0.67 | — | — | |
| SCHEMBL14679407 | 0.66 | ALDH1A1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-10196386-B2 | Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity | CHIESI FARMACEUTICI S.P.A. (IT) | 2019-02-05 | — | — | US | disclosed |
| WO-2018059537-A1 | DIAZASPIRO[5.5]UNDECANE DERIVATIVE AND USE THEREOF | 四川海思科制药有限公司 | 2018-04-05 | — | — | WO | disclosed |
| US-20180016267-A1 | COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY | CHIESI FARMACEUTICI S.P.A. (IT) | 2018-01-18 | — | — | US | disclosed |
| WO-2017114377-A1 | BENZYL HETEROCYCLIC COMPOUND DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2017-07-06 | — | — | WO | disclosed |