⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25393222 | 0.81 | — | — | |
| SCHEMBL16000790 | 0.81 | GRM5 (0.31) | — | |
| SCHEMBL23921884 | 0.78 | GSR (0.32) | — | |
| SCHEMBL21031499 | 0.72 | NR1I2 (0.32) | — | |
| SCHEMBL23921880 | 0.72 | CYP2C19 (0.37) | — | |
| SCHEMBL23921734 | 0.71 | PDCD1 (0.33) | — | |
| SCHEMBL12327215 | 0.71 | FBP1 (0.40) | — | |
| SCHEMBL23921888 | 0.70 | MAPT (0.43) | — | |
| SCHEMBL24348141 | 0.70 | — | — | |
| SCHEMBL9004531 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11332463-B2 | Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. (US) | 2022-05-17 | — | — | US | disclosed |
| US-11178871-B2 | Herbicidal pyrimidine compounds | BASF SE (DE) | 2021-11-23 | — | — | US | disclosed |
| US-20210070745-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2021-03-11 | — | — | US | disclosed |
| US-20190159453-A1 | HERBICIDAL PYRIMIDINE COMPOUNDS | BASF SE (DE) | 2019-05-30 | — | — | US | disclosed |
| US-9656974-B2 | Oxazine derivatives | SHIONOGI & CO., LTD. (JP) | 2017-05-23 | — | — | US | disclosed |
| US-20120157461-A1 | Indolyl-Substituted Pyrazino-Quinolines and Their Use for the Treatment of Cancer | ONKILL AB (SE) | 2012-06-21 | — | — | 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-20080090830-A1 | Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists | SCHERING CORPORATION | 2008-04-17 | — | — | US | disclosed |