⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1310355 | 0.79 | — | — | |
| SCHEMBL1560841 | 0.72 | — | — | |
| SCHEMBL9563242 | 0.72 | IDO1 (0.41) | — | |
| SCHEMBL5104539 | 0.72 | ALOX5 (0.42) | — | |
| SCHEMBL31556324 | 0.72 | CYP3A4 (0.44) | — | |
| SCHEMBL30295390 | 0.72 | ALOX5 (0.47) | — | |
| SCHEMBL7822870 | 0.72 | — | — | |
| SCHEMBL7827555 | 0.72 | — | — | |
| SCHEMBL28465876 | 0.72 | IDO1 (0.34) | — | |
| SCHEMBL17404837 | 0.69 | ALOX5 (0.41) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117447311-A | Fatty alcohol difluoromethyl etherification reaction method and application thereof | 深圳大学 | 2024-01-26 | — | — | CN | disclosed |
| US-20210155561-A1 | METHOD AND REAGENT FOR DEOXYFLUORINATION | SOUTH DAKOTA BOARD OF REGENTS (US) | 2021-05-27 | — | — | US | disclosed |
| US-20210155561-A1 | METHOD AND REAGENT FOR DEOXYFLUORINATION | SOUTH DAKOTA BOARD OF REGENTS (US) | 2021-05-27 | — | — | US | disclosed |
| CN-110062761-A | Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and their use as GLUN2B receptor modulators | 詹森药业有限公司 | 2019-07-26 | — | — | CN | disclosed |
| CN-105189493-B | Novel Pyrazole Derivatives | 持田制药株式会社 | 2017-04-12 | — | — | CN | disclosed |
| CN-102712646-A | RAF inhibitor compounds and methods of use thereof | ARRAY BIOPHARMA INC | 2012-10-03 | — | — | CN | disclosed |
| EP-2470538-A1 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | Array Biopharma, Inc. (US) | 2012-07-04 | — | — | EP | disclosed |
| WO-2011025940-A1 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2011-03-03 | — | — | WO | disclosed |