⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12707364 | 0.83 | — | — | |
| SCHEMBL11360667 | 0.80 | CYP2C19 (0.37) | — | |
| SCHEMBL330404 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL3321641 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL6218904 | 0.78 | — | — | |
| SCHEMBL2650182 | 0.78 | — | — | |
| SCHEMBL5493506 | 0.76 | L3MBTL1 (0.32) | — | |
| SCHEMBL10833159 | 0.75 | — | — | |
| SCHEMBL2650133 | 0.75 | — | — | |
| SCHEMBL554253 | 0.75 | CYP3A4 (0.32) | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4568746-B1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2026-04-29 | — | — | EP | disclosed |
| US-20250236617-A1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2025-07-24 | — | — | US | disclosed |
| EP-4568746-A1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2025-06-18 | — | — | EP | disclosed |
| CN-119768401-A | Bicyclic tetrahydrothiazepine derivatives | 豪夫迈·罗氏有限公司 | 2025-04-04 | — | — | CN | disclosed |
| WO-2024033457-A1 | BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2024-02-15 | — | — | WO | disclosed |
| US-8440705-B2 | 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2013-05-14 | — | — | US | disclosed |
| US-8440705-B2 | 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2013-05-14 | — | — | US | disclosed |
| US-8093427-B2 | Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid | NATIONAL TSING HUA UNIVERSITY (TW) | 2012-01-10 | — | — | US | disclosed |
| US-20110306668-A1 | CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID | NATIONAL TSING HUA UNIVERSITY (TW) | 2011-12-15 | — | — | US | disclosed |
| EP-1802303-B1 | COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY | WHITEHEAD BIOMEDICAL INST (US) | 2011-11-02 | — | — | EP | disclosed |
| EP-0705823-A1 | Process for producing 1-substituted-2-cyanoimidazole compounds | ISHIHARA SANGYO KAISHA LTD. (JP) | 1996-04-10 | — | — | EP | disclosed |
| US-4751312-A | Process and intermediates for the synthesis of diastereomeric compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1988-06-14 | — | — | US | disclosed |
| EP-0229301-A1 | Diastereomeric form (A) of 3,3-dimethyl-1(4-methoxy-imino-methyl-phenoxy)-1-(1,2,4-triazol-1-yl)-butan-2-ol | BAYER AG (DE) | 1987-07-22 | — | — | EP | disclosed |
| US-4060623-A | 1,2,4-Triazole antimycotic compositions and use thereof | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-29 | — | — | US | disclosed |
| US-4048318-A | 1-Substituted-1,2,4-triazole fungicides | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | disclosed |
| US-4038406-A | 1,2,4-TRIAZOLE ANTIMYCOTIC COMPOSITIONS AND USE THEREOF | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-26 | — | — | US | disclosed |
| US-4038404-A | 1,2,4-TRIAZOLE ANTIMYCOTIC COMPOSITIONS AND USE THEREOF | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-26 | — | — | US | disclosed |
| US-4036966-A | 1,2,4-Triazole antimycotic compositions and use thereof | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-19 | — | — | US | disclosed |
| US-4036967-A | 1,2,4-Triazole antimycotic compositions and use thereof | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-19 | — | — | US | disclosed |
| US-4002763-A | 1,2,4-Triazole antimycotic compositions and use thereof | BAYER AKTIENGESELLSCHAFT (DT) | 1977-01-11 | — | — | US | disclosed |