⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28939794 | 0.69 | — | — | |
| SCHEMBL30298491 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL6347129 | 0.67 | — | — | |
| SCHEMBL22494211 | 0.67 | — | — | |
| SCHEMBL353422 | 0.67 | — | — | |
| SCHEMBL329182 | 0.67 | — | — | |
| SCHEMBL27534262 | 0.65 | TP53 (0.36) | — | |
| SCHEMBL21692802 | 0.65 | CA1 (0.34) | — | |
| SCHEMBL4040047 | 0.64 | — | — | |
| SCHEMBL28142047 | 0.63 | CA1 (0.38) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2995617-B1 | BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS | SHANGHAI INST PHARMACEUTICAL IND (CN) | 2018-01-31 | — | — | EP | disclosed |
| US-20170217964-A1 | AMINOTETRAHYDROPYRAN DERIVATIVE USED AS DIPEPTIDYL PEPTIDASEIV INHIBITOR | Fujian Boro Medical Co., Ltd. (CN) | 2017-08-03 | — | — | US | disclosed |
| EP-3144310-A1 | AMINOTETRAHYDROPYRAN DERIVATIVE USED AS DIPEPTIDYL PEPTIDASE-IV INHIBITOR | FUJIAN BORO MEDICAL CO., LTD. (CN) | 2017-03-22 | — | — | EP | disclosed |
| US-9550741-B2 | Benzoisothiazole compounds and methods of treating schizophrenia | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2017-01-24 | — | — | US | disclosed |
| US-20160096811-A1 | BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS | SHANAGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2016-04-07 | — | — | US | disclosed |
| EP-2995617-A1 | BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS | Shanghai Institute of Pharmaceutical Industry (CN) | 2016-03-16 | — | — | EP | disclosed |
| US-20100113421-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2010-05-06 | — | — | US | disclosed |
| EP-2076492-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008054605-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-08 | — | — | WO | disclosed |