⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21718292 | 0.77 | — | — | |
| SCHEMBL18657396 | 0.77 | — | — | |
| SCHEMBL24960141 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL18744005 | 0.74 | — | — | |
| SCHEMBL22964877 | 0.73 | — | — | |
| SCHEMBL9928516 | 0.72 | — | — | |
| SCHEMBL25097011 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL21534518 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL18558971 | 0.71 | — | — | |
| SCHEMBL22670549 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240209000-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE LLC | 2024-06-27 | — | — | US | disclosed |
| EP-3644991-B1 | 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME LLC (US) | 2023-08-02 | — | — | EP | disclosed |
| US-10730842-B2 | Small molecule inhibitors of DYRK1A and uses thereof | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2020-08-04 | — | — | US | disclosed |
| US-20180098983-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE, INC. | 2018-04-12 | — | — | US | disclosed |
| US-20170290828-A1 | 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS | NOVARTIS AG (CH) | 2017-10-12 | — | — | US | disclosed |
| US-20170281614-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS | INTELLIKINE LLC | 2017-10-05 | — | — | US | disclosed |
| US-9708368-B2 | Linear peptide antibiotics | RQX PHARMACEUTICALS, INC. (US) | 2017-07-18 | — | — | US | disclosed |
| US-9655892-B2 | Certain chemical entities, compositions and methods | INTELLIKINE LLC (US) | 2017-05-23 | — | — | US | disclosed |