⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL1420935 | 0.89 | — | — | |
| Butane SCHEMBL583590 | 0.86 | — | — | |
| Alcohol SCHEMBL9644499 | 0.83 | — | — | |
| Ethane SCHEMBL108080 | 0.81 | — | — | |
| Chloromethane SCHEMBL1814391 | 0.81 | — | — | |
| SCHEMBL102156 | 0.80 | — | — | |
| Pentane SCHEMBL583306 | 0.80 | — | — | |
| SCHEMBL4743209 | 0.80 | — | — | |
| Hexane SCHEMBL4682339 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL5078402 | 0.77 | — | — |
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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017216805-A1 | INTERMEDIATES AND PROCESSES FOR PREPARATION OF VORTIOXETINE | LAKSHMI PRASAD ALAPARTHI (IN) | 2017-12-21 | — | — | WO | disclosed |
| EP-3169673-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2017-05-24 | — | — | EP | disclosed |
| EP-3169672-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2017-05-24 | — | — | EP | disclosed |
| US-9580434-B2 | Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes | ATTENUA, INC. (US) | 2017-02-28 | — | — | US | disclosed |
| EP-3083573-A2 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2016-10-26 | — | — | EP | disclosed |
| EP-3057963-A1 | PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT | Boehringer Ingelheim International GmbH (DE) | 2016-08-24 | — | — | EP | disclosed |
| US-20160039833-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES | CATALYST BIOSCIENCES, INC. | 2016-02-11 | — | — | US | disclosed |
| WO-2016010802-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2016-01-21 | — | — | WO | disclosed |
| WO-2016010801-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2016-01-21 | — | — | WO | disclosed |
| WO-2015095097-A2 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2015-06-25 | — | — | WO | disclosed |
| WO-2002044154-A1 | NOVEL COMPOUNDS | GLAXOSMITHKLINE SPA (IT) | 2002-06-06 | — | — | WO | disclosed |
| WO-2002032893-A2 | PIPERIDINE COMPOUNDS AS ANTI-ALLERGIC | SCHERING CORPORATION (US) | 2002-04-25 | — | — | WO | disclosed |
| EP-1140942-A2 | PRENYL TRANSFERASE INHIBITORS | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039130-A2 | PRENYL TRANSFERASE INHIBITORS | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) | 2000-07-06 | — | — | WO | disclosed |
| EP-0950114-A1 | ENCODING OF ORGANOMETALLIC LIBRARIES | SYMYX TECHNOLOGIES (US) | 1999-10-20 | — | — | EP | disclosed |
| EP-0946551-A2 | N-PIPERAZIN-1-YLPHENYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1999-10-06 | — | — | EP | disclosed |
| WO-1999005318-A1 | ENCODING OF ORGANOMETALLIC LIBRARIES | SYMYX TECHNOLOGIES (US) | 1999-02-04 | — | — | WO | disclosed |
| EP-0858453-A1 | 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY | AstraZeneca AB (SE) | 1998-08-19 | — | — | EP | disclosed |
| WO-1998027058-A2 | N-PIPERAZIN-1-YLPHENYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1998-06-25 | — | — | WO | disclosed |
| WO-1997014690-A1 | 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY | ZENECA LIMITED (GB) | 1997-04-24 | — | — | WO | disclosed |