⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27574996 | 0.63 | — | — | |
| SCHEMBL2015308 | 0.61 | — | — | |
| SCHEMBL1034321 | 0.60 | — | — | |
| SCHEMBL9723942 | 0.60 | — | — | |
| SCHEMBL9298892 | 0.60 | — | — | |
| SCHEMBL6022943 | 0.56 | — | — | |
| SCHEMBL9698188 | 0.56 | — | — | |
| SCHEMBL23706616 | 0.56 | — | — | |
| SCHEMBL2407921 | 0.56 | — | — | |
| SCHEMBL22295567 | 0.56 | — | — |
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-4251663-A | Thiosubstituted pyridines | MERCK & CO., INC. (US) | 1981-02-17 | — | — | US | claimed |
| EP-0014893-A2 | 3-Trifluorothiomethyl-2-(3-amino-2-subst.-propoxy)pyridines, their pharmaceutically acceptable salts and intermediates, their preparation and an antihypertensive composition containing them | MERCK & CO. INC. (US) | 1980-09-03 | — | — | EP | claimed |
| WO-2015053576-A1 | METHOD FOR PREPARATION OF 3-ALKYLTHIO-2-BROMOPYRIDINE | LG LIFE SCIENCES LTD. (KR) | 2015-04-16 | — | — | WO | disclosed |
| US-5349076-A | Method bis(trifluoromethylthio)arsine | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 1994-09-20 | — | — | US | disclosed |
| US-4820847-A | Process for the preparation of 4-substituted 1-aryl-5-amino-pyrazoles | BAYER AKTIENGESELLSCHAFT (DE) | 1989-04-11 | — | — | US | disclosed |
| EP-0260521-A1 | Process for the preparation of 4-substituted-1-aryl-5-amino-pyrazoles | BAYER AG (DE) | 1988-03-23 | — | — | EP | disclosed |
| US-4251663-A | Thiosubstituted pyridines | MERCK & CO., INC. (US) | 1981-02-17 | — | — | US | disclosed |
| US-4234590-A | Thiosubstituted pyridines | MERCK & CO., INC. (US) | 1980-11-18 | — | — | US | disclosed |
| EP-0014893-A2 | 3-Trifluorothiomethyl-2-(3-amino-2-subst.-propoxy)pyridines, their pharmaceutically acceptable salts and intermediates, their preparation and an antihypertensive composition containing them | MERCK & CO. INC. (US) | 1980-09-03 | — | — | EP | disclosed |