⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9111330 | 0.72 | CYP2A6 (0.36) | — | |
| SCHEMBL2002132 | 0.68 | — | — | |
| SCHEMBL12526773 | 0.65 | CCR1 (0.44) | — | |
| SCHEMBL2012402 | 0.62 | — | — | |
| SCHEMBL7532999 | 0.62 | — | — | |
| SCHEMBL17464093 | 0.60 | IDO1 (0.39) | — | |
| SCHEMBL22726 | 0.60 | — | — | |
| SCHEMBL10968 | 0.60 | — | — | |
| SCHEMBL31205072 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL12507 | 0.60 | — | — |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3639823-A1 | SUBSTITUTED 2-(4-HETEROCYCLYLBENZYL)ISOINDOLIN-1-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 | Vanderbilt University Center for Technology Transfer and Commercialization (US) | 2020-04-22 | — | — | EP | claimed |
| EP-1449835-A2 | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-25 | — | — | EP | claimed |
| EP-1247804-A1 | Pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2002-10-09 | — | — | EP | claimed |
| US-6124306-A | Thioalkyl alpha substituted pyrimidine compounds | PHARMACIA & UPJOHN COMPANY (US) | 2000-09-26 | — | — | US | claimed |
| EP-1034167-A1 | ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS | PHARMACIA & UPJOHN COMPANY (US) | 2000-09-13 | — | — | EP | claimed |
| US-6043248-A | VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS | PHARMACIA & UPJOHN COMPANY (US) | 2000-03-28 | — | — | US | claimed |
| US-5981537-A | USEFUL IN THE TREATMENT OF INDIVIDUALS WHO ARE HIV POSITIVE | PHARMACIA & UPJOHN COMPANY (US) | 1999-11-09 | — | — | US | claimed |
| WO-1999019304-A9 | ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS | UPJOHN CO (US) | 1999-07-08 | — | — | WO | claimed |
| WO-1999019304-A2 | ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS | PHARMACIA & UPJOHN COMPANY (US) | 1999-04-22 | — | — | WO | claimed |
| EP-0824524-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1998-02-25 | — | — | EP | claimed |
| WO-1996035678-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1996-11-14 | — | — | WO | claimed |
| EP-0728130-A1 | PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1996-08-28 | — | — | EP | claimed |
| WO-1995013267-A1 | PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS | THE UPJOHN COMPANY (US) | 1995-05-18 | — | — | WO | claimed |
| US-20210284660-A1 | HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | PTC THERAPEUTICS, INC. | 2021-09-16 | — | — | US | disclosed |
| EP-3814345-A1 | HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | PTC Therapeutics, Inc. (US) | 2021-05-05 | — | — | EP | disclosed |
| US-20200231592-A1 | SUBSTITUTED 2-(4-HETEROCYCLYLBENZYL)ISOINDOLIN-1-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 | VANDERBILT UNIVERSITY | 2020-07-23 | — | — | US | disclosed |
| EP-0824524-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035678-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1996-11-14 | — | — | WO | disclosed |
| EP-0728130-A1 | PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013267-A1 | PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS | THE UPJOHN COMPANY (US) | 1995-05-18 | — | — | WO | disclosed |