⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26463216 | 1.00 | — | — | |
| SCHEMBL16659568 | 0.85 | — | — | |
| SCHEMBL26049999 | 0.85 | — | — | |
| SCHEMBL26049948 | 0.85 | — | — | |
| SCHEMBL16659560 | 0.83 | SLC6A2 (0.33) | — | |
| SCHEMBL19122152 | 0.83 | DRD4 (0.31) | — | |
| SCHEMBL16659546 | 0.83 | DRD4 (0.31) | — | |
| SCHEMBL26052446 | 0.83 | DRD4 (0.31) | — | |
| SCHEMBL26052447 | 0.83 | DRD4 (0.31) | — | |
| SCHEMBL16659547 | 0.80 | USP2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023150203-A1 | HDAC6 INHIBITORS AND USES THEREOF | EIKONIZO THERAPEUTICS, INC. (US) | 2023-08-10 | — | — | WO | disclosed |
| WO-2021129737-A1 | COMPOUND HAVING KHK INHIBITORY EFFECT | 南京明德新药研发有限公司 | 2021-07-01 | — | — | WO | disclosed |
| WO-2020150372-A1 | ANTIMICROBIAL COMPOUNDS AND METHODS | CURZA GLOBAL, LLC (US) | 2020-07-23 | — | — | WO | disclosed |
| US-9096608-B2 | Pharmaceutically active pyrazolo-triazine derivatives | LEAD DISCOVERY CENTER GMBH (DE) | 2015-08-04 | — | — | US | disclosed |
| US-20150111873-A1 | PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES | LEAD DISCOVERY CENTER GMBH (DE) | 2015-04-23 | — | — | US | disclosed |