⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11644118 | 0.87 | — | — | |
| SCHEMBL9600238 | 0.76 | — | — | |
| SCHEMBL16876908 | 0.72 | — | — | |
| SCHEMBL4994623 | 0.68 | — | — | |
| SCHEMBL4308101 | 0.68 | — | — | |
| SCHEMBL15418077 | 0.67 | — | — | |
| SCHEMBL611093 | 0.67 | — | — | |
| SCHEMBL5745247 | 0.66 | — | — | |
| SCHEMBL1721038 | 0.64 | — | — | |
| SCHEMBL7383347 | 0.64 | DRD2 (0.31) | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024153752-A1 | STEREOSELECTIVE SYNTHESIS OF INTERMEDIATES AND SYNTHESIS OF QUINAGOLIDS | FERRING B.V. (NL) | 2024-07-25 | — | — | WO | claimed |
| EP-3729442-A1 | MOLECULE-BASED EQUATION ORIENTED REACTOR SIMULATION SYSTEM AND ITS MODEL REDUCTION | Aspen Technology, Inc. (US) | 2020-10-28 | — | — | EP | claimed |
| US-20190228843-A1 | Molecule-Based Equation Oriented Reactor Simulation System And Its Model Reduction | JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT | 2019-07-25 | — | — | US | claimed |
| WO-2024153752-A1 | STEREOSELECTIVE SYNTHESIS OF INTERMEDIATES AND SYNTHESIS OF QUINAGOLIDS | FERRING B.V. (NL) | 2024-07-25 | — | — | WO | disclosed |
| WO-2024153752-A1 | STEREOSELECTIVE SYNTHESIS OF INTERMEDIATES AND SYNTHESIS OF QUINAGOLIDS | FERRING B.V. (NL) | 2024-07-25 | — | — | WO | disclosed |
| WO-2023005130-A1 | TRADITIONAL CHINESE MEDICINE COMPOSITION FOR TREATING INFERTILITY, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 安徽医科大学 | 2023-02-02 | — | — | WO | disclosed |
| CN-115403522-A | Biphenyl quinoline skeleton compound with C2 axis chirality, chiral isomer thereof, preparation method and application thereof | 中国科学院成都有机化学有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-115403523-A | Biquinoline-aryl phenol framework compound with axial chirality and preparation method and application thereof | 中国科学院成都有机化学有限公司 | 2022-11-29 | — | — | CN | disclosed |
| CN-113350436-A | Traditional Chinese medicine composition for treating infertility and preparation method and application thereof | 安徽医科大学 | 2021-09-07 | — | — | CN | disclosed |
| EP-3729442-A1 | MOLECULE-BASED EQUATION ORIENTED REACTOR SIMULATION SYSTEM AND ITS MODEL REDUCTION | Aspen Technology, Inc. (US) | 2020-10-28 | — | — | EP | disclosed |
| US-20190228843-A1 | Molecule-Based Equation Oriented Reactor Simulation System And Its Model Reduction | JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT | 2019-07-25 | — | — | US | disclosed |
| EP-2496559-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | Vitae Pharmaceuticals, Inc. (US) | 2012-09-12 | — | — | EP | disclosed |
| US-20120157488-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-21 | — | — | US | disclosed |
| WO-2012061708-A1 | CRYSTALLINE FORMS OF HYDROCHLORIDE SALT OF (4A-R,9A-S) -1- (1H - BENZOIMIDAZOLE- 5 -CARBONYL) -2, 3, 4, 4A, 9, 9A - HEXAHYDRO -1H- INDENO [2, 1 -B] PYRIDINE- 6 -CARBONITRILE AND THEIR USE AS HSD 1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-10 | — | — | WO | disclosed |
| US-20110136800-A1 | ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | Boehringer Ingelheim International GmbH Vitae Pharmaceuticals | 2011-06-09 | — | — | US | disclosed |
| WO-2011057054-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | VITAE PHARMACEUTICALS, INC. (US) | 2011-05-12 | — | — | WO | disclosed |
| EP-0537191-B1 | TREATMENT OF ORGAN TRANSPLANTATION REJECTION | DU PONT MERCK PHARMA (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0059553-B1 | OCTAHYDROBENZO(F)QUINOLINE COMPOUNDS | SMITHKLINE BECKMAN CORPORATION (US) | 1985-01-09 | — | — | EP | disclosed |
| EP-0059553-A2 | Octahydrobenzo(f)quinoline compounds | SMITHKLINE BECKMAN CORPORATION (US) | 1982-09-08 | — | — | EP | disclosed |
| US-4341786-A | ANTIDEPRESSANTS; ADRENERGIC STIMULANTS | SMITHKLINE CORPORATION (US) | 1982-07-27 | — | — | US | disclosed |