⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9317249 | 0.81 | FKBP5 (0.35) | — | |
| SCHEMBL13353 | 0.67 | — | — | |
| SCHEMBL3708688 | 0.67 | GPR84 (0.39) | — | |
| SCHEMBL27324502 | 0.67 | FKBP5 (1.00) | — | |
| SCHEMBL9596 | 0.67 | — | — | |
| SCHEMBL30741632 | 0.65 | AHR (0.54) | — | |
| Hydrochloric Acid SCHEMBL3128042 | 0.65 | — | — | |
| SCHEMBL25414048 | 0.65 | — | — | |
| SCHEMBL1149107 | 0.65 | — | — | |
| Water SCHEMBL14333714 | 0.65 | — | — |
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-5502048-A | CNS, STROKES, HYPOGLYCEMIC AGENTS AND ANTIISCHEMIC AGENTS | ZENECA LIMITED (GB) | 1996-03-26 | — | — | US | claimed |
| WO-2023074847-A1 | NOVEL SPIRO COMPOUND | 田辺三菱製薬株式会社 | 2023-05-04 | — | — | WO | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| EP-3601259-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | H. Hoffnabb-La Roche Ag (CH) | 2020-02-05 | — | — | EP | disclosed |
| WO-2018183964-A1 | ISOQUINOLINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2018-10-04 | — | — | WO | disclosed |
| EP-2807167-A1 | INDOLE AND BENZOFURAN FUSED ISOQUINUCLIDENE DERIVATIVES AND PROCESSES FOR PREPARING THEM | DemeRx, Inc. (US) | 2014-12-03 | — | — | EP | disclosed |
| WO-2013112163-A1 | INDOLE AND BENZOFURAN FUSED ISOQUINUCLIDENE DERIVATIVES AND PROCESSES FOR PREPARING THEM | DEMERX, INC. (US) | 2013-08-01 | — | — | WO | disclosed |
| WO-2013112757-A1 | INDOLE AND BENZOFURAN FUSED ISOQUINUCLIDENE DERIVATIVES AND PROCESSES FOR PREPARING THEM | DEMERX, INC. (US) | 2013-08-01 | — | — | WO | disclosed |
| US-7105508-B1 | Integrin receptors antagonists | ABBOTT GMBH & CO. KG (DE) | 2006-09-12 | — | — | US | disclosed |
| US-20040077638-A1 | Novel integrin receptor antagonists | BASF AKTIENGESELLCHAFT (DE) | 2004-04-22 | — | — | US | disclosed |
| EP-1202988-A2 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001010847-A2 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-15 | — | — | WO | disclosed |
| EP-0702673-B1 | BENZ(B)AZEPINE-2,5-DIONES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS | ZENECA LTD (GB) | 1998-02-25 | — | — | EP | disclosed |
| US-5708168-A | FOR TREATING OR PREVENTING NEURONAL LOSS | STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) | 1998-01-13 | — | — | US | disclosed |
| WO-1996015112-A1 | AZEPINE SYNTHESIS VIA A DIELS-ALDER REACTION | ACEA PHARMACEUTICALS, INC. (US) | 1996-05-23 | — | — | WO | disclosed |
| US-5476933-A | Condensation, ring expansion | STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) | 1995-12-19 | — | — | US | disclosed |
| EP-0610334-A1 | NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. | GENENTECH INC (US) | 1994-08-17 | — | — | EP | disclosed |
| WO-1994007500-A1 | 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS | WEBER ECKARD (US) | 1994-04-14 | — | — | WO | disclosed |