⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL645025 | 0.78 | — | — | |
| SCHEMBL4299 | 0.78 | — | — | |
| SCHEMBL29008228 | 0.76 | — | — | |
| Benzene SCHEMBL8015826 | 0.76 | TSHR (0.39) | — | |
| Aluminum Chloride Anhydrous SCHEMBL28894142 | 0.71 | CYP1A2 (0.32) | — | |
| SCHEMBL28673123 | 0.69 | TAAR1 (0.45) | — | |
| SCHEMBL28507816 | 0.67 | — | — | |
| SCHEMBL2481210 | 0.67 | — | — | |
| SCHEMBL458487 | 0.67 | — | — | |
| SCHEMBL5705211 | 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 932 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230339904-A1 | ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS | BIOTHERYX, INC. | 2023-10-26 | — | — | US | claimed |
| EP-3201208-B1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2021-03-24 | — | — | EP | claimed |
| EP-3201207-B1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2021-02-24 | — | — | EP | claimed |
| EP-3201205-B1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2020-05-13 | — | — | EP | claimed |
| US-10640520-B2 | Boronic acid derivatives | MERCK PATENT GMBH (DE) | 2020-05-05 | — | — | US | claimed |
| US-10294246-B2 | Substituted boronic acids and boronate esters as immunoproteasome inhibitors | MERCK PATENT GMBH (DE) | 2019-05-21 | — | — | US | claimed |
| US-20180179231-A1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-06-28 | — | — | US | claimed |
| US-20180105539-A1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-04-19 | — | — | US | claimed |
| US-20180105538-A1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-04-19 | — | — | US | claimed |
| CN-107108660-A | Boronic acid derivatives | 默克专利股份公司 | 2017-08-29 | — | — | CN | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| US-6110970-A | FOR TREATING OR PREVENTING OR AMELIORATING CANCER AND OTHER PROLIFERATIVE DISEASES AS WELL AS FOR INDUCING WOUND HEALING, TREATING CUTANEOUS ULCERS, TREATING GASTROINTESTINAL DISORDERS, TREATING BLOOD DISORDERS SUCH AS ANEMIAS | BEACON LABORATORIES, INC. (US) | 2000-08-29 | — | — | US | claimed |
| EP-0973389-A1 | NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF | BAR-ILAN UNIVERSITY (IL) | 2000-01-26 | — | — | EP | claimed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | claimed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5916899-A | SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. | TREGA BIOSCIENCES, INC. (US) | 1999-06-29 | — | — | US | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| WO-1998039966-A1 | NITROGEN-CONTAINING OXYALKYLENE ESTERS AND USES THEREOF | BAR-ILAN UNIVERSITY (IL) | 1998-09-17 | — | — | WO | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |