⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13068448 | 0.75 | — | — | |
| SCHEMBL12938268 | 0.75 | HDAC8 (0.36) | — | |
| SCHEMBL31312464 | 0.71 | — | — | |
| SCHEMBL30471742 | 0.71 | — | — | |
| SCHEMBL1475835 | 0.71 | — | — | |
| SCHEMBL25283800 | 0.71 | — | — | |
| SCHEMBL4932975 | 0.71 | — | — | |
| SCHEMBL15165638 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL11615032 | 0.70 | TDP1 (0.36) | — | |
| SCHEMBL3101659 | 0.67 | HDAC8 (0.34) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240343720-A1 | AAK1 INHIBITOR AND USE THEREOF | XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2024-10-17 | — | — | US | disclosed |
| EP-4371980-A1 | AAK1 INHIBITOR AND USE THEREOF | Xizang Haisco Pharmaceutical Co., Ltd. (CN) | 2024-05-22 | — | — | EP | disclosed |
| CN-117715899-A | AAK1 inhibitors and uses thereof | 西藏海思科制药有限公司 | 2024-03-15 | — | — | CN | disclosed |
| WO-2023284838-A1 | AAK1 INHIBITOR AND USE THEREOF | 四川海思科制药有限公司 | 2023-01-19 | — | — | WO | disclosed |
| US-9290526-B2 | Heterocyclyl-pyridinyl-based biphosphonic acid, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2016-03-22 | — | — | US | disclosed |
| US-20150376214-A1 | HETEROCYCLYL-PYRIDINYL-BASED BIPHOSPHONIC ACID, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2015-12-31 | — | — | US | disclosed |
| US-8816082-B2 | Heterocyclyl-pyridinyl-based biphosphonic acid, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2014-08-26 | — | — | US | disclosed |
| US-20130203702-A1 | HETEROCYCLYL-PYRIDINYL-BASED BIPHOSPHONIC ACID, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2013-08-08 | — | — | US | disclosed |
| EP-2576576-A1 | HETEROCYCLYL-PYRIDINYL-BASED BIPHOSPHONIC ACID, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF | The Royal Institution for the Advancement of Learning/McGill University (CA) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011147038-A1 | HETEROCYCLYL-PYRIDINYL-BASED BIPHOSPHONIC ACID, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2011-12-01 | — | — | WO | disclosed |