⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873233 | 1.00 | — | — | |
| SCHEMBL27921412 | 1.00 | — | — | |
| SCHEMBL8423052 | 0.72 | — | — | |
| SCHEMBL95392 | 0.70 | — | — | |
| SCHEMBL3198345 | 0.70 | — | — | |
| SCHEMBL11597297 | 0.70 | — | — | |
| Isopropyl Alcohol SCHEMBL28388486 | 0.70 | — | — | |
| Isopropyl Alcohol SCHEMBL10902290 | 0.70 | — | — | |
| Isopropyl Alcohol SCHEMBL14797686 | 0.68 | — | — | |
| SCHEMBL2547986 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230105745-A1 | CYCLOALKYL AND HETERO-CYCLOALKYL INHIBITORS, PREPARATION METHODS THEREFOR, AND USE THEREOF | SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) | 2023-04-06 | — | — | US | disclosed |
| CN-115413275-A | Substituted 1,1 , -biphenyl compounds and methods of use thereof | 爱彼特生物制药公司 | 2022-11-29 | — | — | CN | disclosed |
| WO-2021027503-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE AND USE THEREOF | 罗欣药业(上海)有限公司 | 2021-02-18 | — | — | WO | disclosed |
| WO-2004070009-A2 | TARGETED MULTIVALENT MACROMOLECULES | TARGESOME INC. (US) | 2004-08-19 | — | — | WO | disclosed |