⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL653190 | 0.79 | — | — | |
| SCHEMBL10803188 | 0.75 | — | — | |
| SCHEMBL29441288 | 0.75 | — | — | |
| SCHEMBL130515 | 0.75 | — | — | |
| SCHEMBL3615799 | 0.74 | — | — | |
| SCHEMBL91411 | 0.72 | — | — | |
| SCHEMBL29901001 | 0.72 | NISCH (0.52) | — | |
| SCHEMBL13830012 | 0.72 | NISCH (0.52) | — | |
| Ammonia Solution, Strong SCHEMBL20593640 | 0.72 | NFE2L2 (0.60) | — | |
| SCHEMBL3034723 | 0.72 | — | — |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2313377-B1 | METHOD FOR STEREOSELECTIVE SYNTHESIS OF BICYCLIC HETEROCYCLES | BOEHRINGER INGELHEIM INT (DE) | 2016-01-06 | — | — | EP | claimed |
| US-8263768-B2 | Process for the stereoselective preparation of bicyclic heterocycles | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-09-11 | — | — | US | claimed |
| US-20120116080-A1 | PROCESS FOR THE STEREOSELECTIVE PREPARATION OF BICYCLIC HETEROCYCLES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-10 | — | — | US | claimed |
| EP-2313377-A1 | METHOD FOR STEREOSELECTIVE SYNTHESIS OF BICYCLIC HETEROCYCLENE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-04-27 | — | — | EP | claimed |
| WO-2010015524-A1 | METHOD FOR STEREOSELECTIVE SYNTHESIS OF BICYCLIC HETEROCYCLENE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-02-11 | — | — | WO | claimed |
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | claimed |
| US-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |
| US-20230104311-A1 | NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2023-04-06 | — | — | US | disclosed |
| EP-4106763-A1 | NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS | Katholieke Universiteit Leuven KU Leuven Research & Development (BE) | 2022-12-28 | — | — | EP | disclosed |
| US-20210276988-A1 | 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS | GILEAD SCIENCES, INC. | 2021-09-09 | — | — | US | disclosed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | disclosed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | disclosed |