⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18392952 | 0.75 | CCR1 (0.34) | — | |
| SCHEMBL21481143 | 0.72 | — | — | |
| SCHEMBL20099798 | 0.71 | HTT (0.34) | — | |
| SCHEMBL1615486 | 0.70 | CHRNB2 (0.33) | — | |
| SCHEMBL25820389 | 0.69 | — | — | |
| SCHEMBL10298850 | 0.68 | NPSR1 (0.37) | — | |
| SCHEMBL21481141 | 0.67 | — | — | |
| SCHEMBL19754802 | 0.66 | LMNA (0.33) | — | |
| SCHEMBL20690893 | 0.66 | NISCH (0.31) | — | |
| SCHEMBL15479691 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230310390-A1 | INHIBITORS OF SHORT-CHAIN DEHYDROGENASE ACTIVITY FOR TREATING NEURODEGENERATION | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2023-10-05 | — | — | US | disclosed |
| US-20210221797-A1 | Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine | ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) | 2021-07-22 | — | — | US | disclosed |
| EP-3838897-A2 | (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY | Shenzhen TargetRx, Inc. (CN) | 2021-06-23 | — | — | EP | disclosed |
| WO-2019242599-A1 | TETRAHYDRO ISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2019-12-26 | — | — | WO | disclosed |
| WO-2019062848-A1 | N-(SUBSTITUTED SULFONYL)BENZAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 浙江海正药业股份有限公司 | 2019-04-04 | — | — | WO | disclosed |