⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15662084 | 0.79 | — | — | |
| SCHEMBL18513570 | 0.79 | — | — | |
| SCHEMBL3109516 | 0.79 | — | — | |
| SCHEMBL9933615 | 0.79 | — | — | |
| SCHEMBL5762233 | 0.77 | CHRM2 (0.44) | — | |
| SCHEMBL2093815 | 0.76 | — | — | |
| SCHEMBL30845136 | 0.76 | FDPS (0.42) | — | |
| SCHEMBL69929 | 0.75 | — | — | |
| SCHEMBL6795023 | 0.74 | CYP2C19 (0.48) | — | |
| SCHEMBL15296476 | 0.74 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3455216-B1 | PYRIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AS AOC3 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2020-11-04 | — | — | EP | disclosed |
| WO-2019201752-A1 | PHARMACEUTICAL COMPOSITION, METHODS FOR TREATING AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-10-24 | — | — | WO | disclosed |
| US-20190000832-A1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | Selder Pharma Inc. (US) | 2019-01-03 | — | — | US | disclosed |
| US-10016410-B2 | Tetrahydroisoquinolin-1-one derivative or salt thereof | SELDAR PHARMA INC. (US) | 2018-07-10 | — | — | US | disclosed |
| US-10016410-B2 | Tetrahydroisoquinolin-1-one derivative or salt thereof | SELDAR PHARMA INC. (US) | 2018-07-10 | — | — | US | disclosed |
| WO-2017194453-A1 | PYRIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AS AOC3 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-11-16 | — | — | WO | disclosed |
| CN-105206845-B | One-step synthesis method has the S of excellent ORR and lithium electrical property, the meso-porous carbon material method of N synergies | 浙江工业大学 | 2017-07-07 | — | — | CN | disclosed |
| US-20170189390-A1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | SELDAR PHARMA INC. (US) | 2017-07-06 | — | — | US | disclosed |
| US-20170189390-A1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | SELDAR PHARMA INC. (US) | 2017-07-06 | — | — | US | disclosed |
| US-9526719-B2 | Tetrahydroisoquinolin-1-one derivative or salt thereof | SELDAR PHARMA INC. (US) | 2016-12-27 | — | — | US | disclosed |
| US-9150541-B2 | Tetrahydroisoquinolin-1-one derivative or salt thereof | SELDAR PHARMA INC. (US) | 2015-10-06 | — | — | US | disclosed |
| EP-2149561-B1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | SELDAR PHARMA INC (US) | 2015-09-09 | — | — | EP | disclosed |
| US-20140058100-A1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | SELDAR PHARMA INC. (US) | 2014-02-27 | — | — | US | disclosed |
| US-8486970-B2 | Tetrahydroisoquinolin-1-one derivative or salt thereof | SELDAR PHARMA INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-8486970-B2 | Tetrahydroisoquinolin-1-one derivative or salt thereof | SELDAR PHARMA INC. (US) | 2013-07-16 | — | — | US | disclosed |
| WO-2013072882-A1 | 2 -AMINO- 1, 8 -NAPHTHYRIDINE-3 -CARBOXAMIDE DERIVATIVES AS ANTIMICROBIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-23 | — | — | WO | disclosed |
| US-20100227866-A1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2010-09-09 | — | — | US | disclosed |
| US-20100227866-A1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2010-09-09 | — | — | US | disclosed |
| EP-2149561-A1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2010-02-03 | — | — | EP | disclosed |
| WO-2003070234-A9 | ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER | UNIV CASE WESTERN RESERVE (US) | 2004-02-26 | — | — | WO | disclosed |