⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28844065 | 0.96 | — | — | |
| SCHEMBL6722175 | 0.72 | — | — | |
| SCHEMBL353991 | 0.67 | — | — | |
| Chloroacetic Acid SCHEMBL22493122 | 0.67 | — | — | |
| Chloroacetic Acid SCHEMBL1330649 | 0.67 | — | — | |
| SCHEMBL298779 | 0.67 | — | — | |
| Chloroacetic Acid SCHEMBL5309413 | 0.67 | TSHR (1.00) | — | |
| Chloroacetic Acid SCHEMBL1330914 | 0.67 | — | — | |
| SCHEMBL1275692 | 0.67 | — | — | |
| SCHEMBL23160 | 0.67 | — | — |
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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1020439-B1 | CETP ACTIVITY INHIBITORS | JAPAN TOBACCO INC (JP) | 2006-08-30 | — | — | EP | claimed |
| EP-0883620-B1 | PROCESS FOR THE PREPARATION OF 2-HALOMETHYL-PENEMS AND THEIR USE FOR THE PREPARATION OF ANTIBACTERIAL PENEMS | MENARINI FARMA IND (IT) | 2002-09-04 | — | — | EP | claimed |
| US-6153747-A | Process for the preparation of 2-halomethyl-penems and their use for the preparation of antibacterial penems | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 2000-11-28 | — | — | US | claimed |
| EP-0883620-A1 | PROCESS FOR THE PREPARATION OF 2-HALOMETHYL-PENEMS AND THEIR USE FOR THE PREPARATION OF ANTIBACTERIAL PENEMS | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1998-12-16 | — | — | EP | claimed |
| WO-1997031922-A1 | PROCESS FOR THE PREPARATION OF 2-HALOMETHYL-PENEMS AND THEIR USE FOR THE PREPARATION OF ANTIBACTERIAL PENEMS | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1997-09-04 | — | — | WO | claimed |
| US-20250101022-A1 | PROCESS FOR PREPARING INTERMEDIATES FOR 1-(4-FLUOROPHENYL)-4-((6bR,10aS)-3-METHYL-2,3,6b,9,10,10a-HEXAHYDRO-1H-PYRIDO[3’,4’:4,5]PYRROLO[1,2,3-de]QUINOXALIN-8(7H)-YL)BUTAN-1-ONE | INTRA-CELLULAR THERAPIES, INC. (US) | 2025-03-27 | — | — | US | disclosed |
| US-12139490-B2 | Process for preparing 1-(4-fluorophenyl)-4-((6bR, 10aS)-3-methyl-2,3,6b,9,10,10a-hexahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxalin-8(7H)-yl)butan-1-one | INTRA-CELLULAR THERAPIES, INC. (US) | 2024-11-12 | — | — | US | disclosed |
| US-20220332716-A1 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS | INTRA-CELLULAR THERAPIES, INC. (US) | 2022-10-20 | — | — | US | disclosed |
| US-11407751-B2 | Hydrochloric acid salt of (6bR,10aS)-3-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline | INTRA-CELLULAR THERAPIES, INC. (US) | 2022-08-09 | — | — | US | disclosed |
| US-20190142805-A1 | Novel Compounds and Compositions and Methods of Use | ARDEA BIOSCIENCES INC. | 2019-05-16 | — | — | US | disclosed |
| US-10183012-B2 | Compounds and compositions and methods of use | ARDEA BIOSCIENCES, INC. (US) | 2019-01-22 | — | — | US | disclosed |
| US-20170281601-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | ARDEA BIOSCIENCES, INC. | 2017-10-05 | — | — | US | disclosed |
| EP-0193700-B1 | HERBICIDALLY ACTIVE SUBSTITUTED BENZISOXAZOLE (OR BENZISOTHIAZONE) COMPOUNDS | PPG INDUSTRIES, INC. (US) | 1990-09-26 | — | — | EP | disclosed |
| US-4952690-A | 6-substituted thia-aza compounds | CIBA-GEIGY CORPORATION (US) | 1990-08-28 | — | — | US | disclosed |
| EP-0319316-A2 | Griseolic acid monoesters, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1989-06-07 | — | — | EP | disclosed |
| US-4738709-A | Herbicidally active substituted benzisoxazoles | PPG INDUSTRIES, INC. (US) | 1988-04-19 | — | — | US | disclosed |
| US-4692442-A | ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1987-09-08 | — | — | US | disclosed |
| EP-0193700-A1 | Herbicidally active substituted benzisoxazole (or benzisothiazone) compounds | PPG INDUSTRIES, INC. (US) | 1986-09-10 | — | — | EP | disclosed |
| US-4199363-A | Processes for achieving uniform, efficient distribution of hydrophobic materials through hydrophilic colloid layers and loaded latex compositions | EASTMAN KODAK COMPANY (US) | 1980-04-22 | — | — | US | disclosed |
| US-4093625-A | 6-Sulfur analogs of penicillins and cephalosporins | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1978-06-06 | — | — | US | disclosed |