⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL8221742 | 0.98 | — | — | |
| SCHEMBL2801118 | 0.79 | — | — | |
| Water SCHEMBL7805742 | 0.77 | — | — | |
| SCHEMBL11098112 | 0.73 | — | — | |
| SCHEMBL27457961 | 0.70 | FAAH (0.34) | — | |
| SCHEMBL8397757 | 0.67 | — | — | |
| SCHEMBL6638438 | 0.67 | — | — | |
| SCHEMBL4075430 | 0.67 | HTT (0.39) | — | |
| SCHEMBL7342409 | 0.67 | RAB9A (0.30) | — | |
| SCHEMBL7339156 | 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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2537534-B1 | Esters of (1S,9S)-9-[[(1S)-1-carboxy-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid and their therapeutic use. | HEXAL AG (DE) | 2014-12-17 | — | — | EP | claimed |
| EP-1073673-A1 | NOVEL OCTAHYDRO-6,10-DIOXO-6H-PYRIDAZINO/1,2-a/ /1,2/DIAZEPIN-1-CARBOXYLIC ACID DERIVATIVES, PREPARATION METHOD AND USE FOR PREPARING THERAPEUTICALLY ACTIVE COMPOUNDS | HOECHST MARION ROUSSEL (FR) | 2001-02-07 | — | — | EP | claimed |
| WO-1999055724-A1 | NOVEL OCTAHYDRO-6,10-DIOXO-6H-PYRIDAZINO/1,2-a/ /1,2/DIAZEPIN-1-CARBOXYLIC ACID DERIVATIVES, PREPARATION METHOD AND USE FOR PREPARING THERAPEUTICALLY ACTIVE COMPOUNDS | HOECHST MARION ROUSSEL (FR) | 1999-11-04 | — | — | WO | claimed |
| US-5723602-A | ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS | E. R. SQUIBB & SONS, INC. (US) | 1998-03-03 | — | — | US | claimed |
| EP-0100906-A2 | Tri- and tetracyclic imidazo(1,5-a)(1,4)benzodiazepin-1-carboxylic-acid derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-02-22 | — | — | EP | claimed |
| US-6433164-B1 | — | — | None | — | — | US | disclosed |
| CN-117263959-A | Preparation and application of aromatic KRAS mutant protein inhibitor | 药雅科技(上海)有限公司 | 2023-12-22 | — | — | CN | disclosed |
| CN-112513049-B | Heterocyclic compounds and their use in the prevention or treatment of bacterial infections | 拜欧蒂姆公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-113906028-A | Fused heterocyclic derivatives | 爱尔兰詹森科学公司 | 2022-01-07 | — | — | CN | disclosed |
| CN-113891889-A | Diazepinone derivatives as capsid assembly modulators | 爱尔兰詹森科学公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-109311908-B | Dihydropyrazole azepinoids as Akt inhibitors | 哈尔滨珍宝制药有限公司 | 2021-05-07 | — | — | CN | disclosed |
| US-10975077-B2 | Diazepinone derivatives and their use in the treatment of hepatitis B infections | NOVIRA THERAPEUTICS, INC. (US) | 2021-04-13 | — | — | US | disclosed |
| EP-0784628-A1 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1997-07-23 | — | — | EP | disclosed |
| EP-0783002-A2 | Dual action inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1997-07-09 | — | — | EP | disclosed |
| WO-1997022619-A2 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1997-06-26 | — | — | WO | disclosed |
| US-5552397-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1996-09-03 | — | — | US | disclosed |
| WO-1996015129-A1 | OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-23 | — | — | WO | disclosed |
| WO-1995035308-A1 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1995-12-28 | — | — | WO | disclosed |
| EP-0100906-B1 | TRI- AND TETRACYCLIC IMIDAZO(1,5-A)(1,4)BENZODIAZEPIN-1-CARBOXYLIC-ACID DERIVATIVES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1987-05-13 | — | — | EP | disclosed |
| EP-0094095-A2 | Bicyclic carboxylic acids and their alkyl and aralkyl esters | F. HOFFMANN-LA ROCHE AG (CH) | 1983-11-16 | — | — | EP | disclosed |