⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21110358 | 0.83 | — | — | |
| SCHEMBL12263960 | 0.71 | — | — | |
| SCHEMBL13564375 | 0.70 | — | — | |
| SCHEMBL11941345 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL12594232 | 0.70 | — | — | |
| SCHEMBL18897180 | 0.69 | — | — | |
| SCHEMBL21720336 | 0.68 | — | — | |
| SCHEMBL22698072 | 0.68 | — | — | |
| SCHEMBL21720326 | 0.68 | — | — | |
| SCHEMBL12601241 | 0.68 | ALDH1A1 (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11008334-B2 | Compositions and methods for treating cancer | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-05-18 | — | — | US | disclosed |
| US-20200255446-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2020-08-13 | — | — | US | disclosed |
| US-20120157403-A1 | BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS | CHACKALAMANNIL SAMUEL (US) | 2012-06-21 | — | — | US | disclosed |
| US-8153664-B2 | thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer | SCHERING CORPORATION (US) | 2012-04-10 | — | — | US | disclosed |
| US-20110142796-A1 | Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors | AMGEN INC (US) | 2011-06-16 | — | — | US | disclosed |
| US-20100197716-A1 | N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-05 | — | — | US | disclosed |
| US-20080090830-A1 | Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists | SCHERING CORPORATION | 2008-04-17 | — | — | US | disclosed |