⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3464998 | 0.85 | FFAR3 (0.39) | — | |
| SCHEMBL27591446 | 0.83 | — | — | |
| SCHEMBL102758 | 0.83 | — | — | |
| SCHEMBL29281298 | 0.79 | — | — | |
| Bromide SCHEMBL4857919 | 0.79 | — | — | |
| Ether SCHEMBL1850485 | 0.76 | — | — | |
| Ethylene SCHEMBL11049125 | 0.75 | — | — | |
| Methylene Chloride SCHEMBL28991943 | 0.72 | — | — | |
| Hydroxyamine SCHEMBL28894782 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL28493903 | 0.72 | — | — |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3694864-A1 | BORONIC ACID DERIVATIVES AND SYNTHESIS THEREOF | Qpex Biopharma, Inc. (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019075084-A1 | BORONIC ACID DERIVATIVES AND SYNTHESIS THEREOF | QPEX BIOPHARMA, INC. (US) | 2019-04-18 | — | — | WO | disclosed |
| CN-105294732-B | Conformationally constrained, fully synthetic macrocyclic compounds | 波利弗尔股份公司 | 2018-09-25 | — | — | CN | disclosed |
| US-20170298028-A1 | Process for Producing Fluorocytosine and Fluorocytosine Derivatives | UNIVERSITY OF DURHAM (GB) | 2017-10-19 | — | — | US | disclosed |
| EP-2526102-B1 | Inhibitors of PI3 kinase | FUNDACIÓN CENTRO NAC DE INVESTIG ONCOLÓGICAS CARLOS III (ES) | 2017-03-08 | — | — | EP | disclosed |
| CN-105324441-A | Polymers based on fused diketopyrrolopyrroles | BASF SE | 2016-02-10 | — | — | CN | disclosed |
| WO-2011141713-A1 | NEW BICYCLIC COMPOUNDS AS PI3-K AND MTOR INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011089400-A1 | INHIBITORS OF PI3 KINASE | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2011-07-28 | — | — | WO | disclosed |
| CN-101965343-A | 2-aza-bicyclo[2.2.1]heptane derivatives | ACTELION PHARMACEUTICALS LTD | 2011-02-02 | — | — | CN | disclosed |
| EP-2185518-A2 | SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES | Syngenta Participations AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| US-4309428-A | Maytansinoids | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-01-05 | — | — | US | disclosed |
| EP-0025496-A1 | Maytansinoids, their production and therapeutic compositions containing them | Takeda Chemical Industries, Ltd. (JP) | 1981-03-25 | — | — | EP | disclosed |
| US-4155908-A | PSORIASIS, ANTICOAGULANTS | MERCK & CO., INC. (US) | 1979-05-22 | — | — | US | disclosed |
| US-4126629-A | FERTILITY CONTROL | MERCK & CO., INC. (US) | 1978-11-21 | — | — | US | disclosed |
| US-4085125-A | 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes | MERCK & CO., INC. (US) | 1978-04-18 | — | — | US | disclosed |
| US-4066675-A | PSORIASIS, THROMBOSIS | MERCK & CO., INC. (US) | 1978-01-03 | — | — | US | disclosed |
| US-4061643-A | ANTIFERTILITY | MERCK & CO., INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4055596-A | PHARMACEUTICALS | MERCK & CO., INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-4020177-A | CONTRACEPTIVES | MERCK & CO., INC. (US) | 1977-04-26 | — | — | US | disclosed |
| US-3991106-A | FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY | MERCK & CO., INC. (US) | 1976-11-09 | — | — | US | disclosed |