⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14434326 | 1.00 | — | — | |
| SCHEMBL1836510 | 1.00 | — | — | |
| SCHEMBL76463 | 0.86 | — | — | |
| SCHEMBL15974686 | 0.85 | — | — | |
| SCHEMBL6379288 | 0.83 | — | — | |
| SCHEMBL1710143 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL1669308 | 0.78 | — | — | |
| SCHEMBL10045710 | 0.76 | — | — | |
| SCHEMBL28352174 | 0.76 | ADH1A (0.46) | — | |
| SCHEMBL1897478 | 0.75 | ALDH1A1 (0.32) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11292783-B2 | Substituted 1,2,3,4-tetrahydroisoquinolines as kappa opioid antagonists | RESEARCH TRIANGLE INSTITUTE (NC) | 2022-04-05 | — | — | US | disclosed |
| EP-3512832-B1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RES TRIANGLE INST (US) | 2021-05-19 | — | — | EP | disclosed |
| US-20190263781-A1 | Tetrahydroisoquinoline Kappa Opioid Antagonists | RESEARCH TRIANGLE INSTITUTE (US) | 2019-08-29 | — | — | US | disclosed |
| WO-2018053222-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RESEARCH TRAINGLE INSTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |
| EP-2766346-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-29 | — | — | EP | disclosed |
| US-20170022528-A1 | METHOD FOR PRODUCING ANILINE DERIVATIVE BY FERMENTATION FROM CARBON SOURCE | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2017-01-26 | — | — | US | disclosed |
| EP-2951180-A1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-12-09 | — | — | EP | disclosed |
| US-8802672-B2 | Pyrimidinyl-piperazines useful as D3/D2 receptor ligands | RICHTER GEDEON NYRT. (HU) | 2014-08-12 | — | — | US | disclosed |
| WO-2014120748-A1 | 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-08-07 | — | — | WO | disclosed |
| WO-2012044567-A2 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |
| EP-2385947-A1 | TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS | BASF SE (DE) | 2011-11-16 | — | — | EP | disclosed |
| US-20110269242-A1 | TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS | BASF SE (DE) | 2011-11-03 | — | — | US | disclosed |
| EP-2320738-A1 | SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE | TransTech Pharma, Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| US-20110112093-A1 | PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS | RICHTER GEDEON NYRT. | 2011-05-12 | — | — | US | disclosed |
| WO-2010079114-A1 | TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS | BASF SE (DE) | 2010-07-15 | — | — | WO | disclosed |
| WO-2010025142-A1 | SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2010-03-04 | — | — | WO | disclosed |
| US-20090105232-A1 | CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2009-04-23 | — | — | US | disclosed |
| US-20070185088-A1 | M3 muscarinic acetylchoine receptor antagonists | GLAXO GROUP LIMITED (GB) | 2007-08-09 | — | — | US | disclosed |