⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL452227 | 0.65 | — | — | |
| SCHEMBL1663775 | 0.36 | — | — | |
| SCHEMBL3024814 | 0.36 | — | — | |
| SCHEMBL180259 | 0.35 | — | — | |
| SCHEMBL28840510 | 0.35 | — | — | |
| SCHEMBL662643 | 0.35 | — | — | |
| SCHEMBL10896630 | 0.35 | — | — | |
| SCHEMBL30945900 | 0.35 | — | — | |
| Water SCHEMBL25316652 | 0.32 | — | — | |
| SCHEMBL18889056 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6747152-B2 | COMPRISES MOLYBDENUM/TUNGSTEN/CHROMIUM COMPLEXES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2004-06-08 | — | — | US | claimed |
| US-20030191340-A1 | Catalytic compositions and methods for asymmetric allylic alkylation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-10-09 | — | — | US | claimed |
| US-6541655-B2 | For use in regioselective and enantioselective alkylations of allylic substrates | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2003-04-01 | — | — | US | claimed |
| US-20020198383-A1 | Catalytic compositions and methods for asymmetric allylic alkylation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-12-26 | — | — | US | claimed |
| CN-117603238-A | Boron-nitrogen atom-containing heterocyclic compound and application thereof | 浙江八亿时空先进材料有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-116768951-A | DNA encoding compound containing aromatic nitrogen-containing skeleton, synthesis method thereof and DNA encoding compound library | 苏州阿尔脉生物科技有限公司 | 2023-09-19 | — | — | CN | disclosed |
| CN-116063266-A | Organic electroluminescent compound and application thereof | 北京八亿时空液晶科技股份有限公司 | 2023-05-05 | — | — | CN | disclosed |
| US-6747152-B2 | COMPRISES MOLYBDENUM/TUNGSTEN/CHROMIUM COMPLEXES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2004-06-08 | — | — | US | disclosed |
| US-20030191340-A1 | Catalytic compositions and methods for asymmetric allylic alkylation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-10-09 | — | — | US | disclosed |
| US-6541655-B2 | For use in regioselective and enantioselective alkylations of allylic substrates | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2003-04-01 | — | — | US | disclosed |
| US-20020198383-A1 | Catalytic compositions and methods for asymmetric allylic alkylation | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2002-12-26 | — | — | US | disclosed |