⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17682176 | 0.77 | CYP11B2 (0.36) | — | |
| SCHEMBL18256099 | 0.68 | CYP3A4 (0.35) | — | |
| SCHEMBL18175072 | 0.62 | PDE4A (0.36) | — | |
| SCHEMBL25120514 | 0.59 | HRH3 (0.34) | — | |
| SCHEMBL23768867 | 0.59 | DPP4 (0.31) | — | |
| SCHEMBL23769276 | 0.59 | DPP4 (0.31) | — | |
| SCHEMBL23769248 | 0.59 | DPP4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL23754084 | 0.58 | DPP4 (0.31) | — | |
| SCHEMBL23769277 | 0.57 | APOBEC3A (0.33) | — | |
| SCHEMBL20011085 | 0.57 | GDA (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016184312-A1 | HYDROXYL PURINE COMPOUNDS AND USE THEREOF | 南京明德新药研发股份有限公司 | 2016-11-24 | — | — | WO | disclosed |
| WO-2016184313-A1 | HYDROXYL PURINE COMPOUNDS AND USE THEREOF | 南京明德新药研发股份有限公司 | 2016-11-24 | — | — | WO | disclosed |
| WO-2016054971-A1 | HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF | 南京明德新药研发股份有限公司 | 2016-04-14 | — | — | WO | disclosed |