⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11868736 | 0.82 | ALDH1A1 (0.42) | — | |
| SCHEMBL2504209 | 0.82 | KDM4E (0.68) | — | |
| Hydrochloric Acid SCHEMBL30925271 | 0.79 | KDM4E (0.74) | — | |
| SCHEMBL2481506 | 0.77 | LMNA (0.39) | — | |
| SCHEMBL8410233 | 0.77 | TAAR1 (0.60) | — | |
| SCHEMBL8125177 | 0.76 | — | — | |
| SCHEMBL27928513 | 0.76 | — | — | |
| SCHEMBL320687 | 0.76 | CALM1 (0.44) | — | |
| SCHEMBL2879093 | 0.75 | LTA4H (0.37) | — | |
| SCHEMBL6644747 | 0.75 | SIGMAR1 (0.41) | — |
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 139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116710451-A | Novel aryl-pyrido-pyrimidin-one derivatives | 豪夫迈·罗氏有限公司 | 2023-09-05 | — | — | CN | claimed |
| CN-116601147-A | Novel quinazolinone derivatives | 豪夫迈·罗氏有限公司 | 2023-08-15 | — | — | CN | claimed |
| CN-105980386-B | Pyrazolo compounds and uses thereof | 基因泰克公司 | 2021-08-13 | — | — | CN | claimed |
| US-20190071416-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2019-03-07 | — | — | US | claimed |
| EP-3371151-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | Agency For Science, Technology And Research (SG) | 2018-09-12 | — | — | EP | claimed |
| CN-108419435-A | Compound and epigenetics for treating cancer | 新加坡科技研究局 | 2018-08-17 | — | — | CN | claimed |
| WO-2017061957-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-04-13 | — | — | WO | claimed |
| EP-1962830-B1 | AZAINDOLE INHIBITORS OF AURORA KINASES | GLAXOSMITHKLINE LLC (US) | 2013-03-27 | — | — | EP | claimed |
| EP-1797096-B1 | PYRAZOLOPYRIMIDINES AS INHIBITORS OF PROTEIN KINASE B (AKT) | BAYER SCHERING PHARMA AG (DE) | 2011-07-27 | — | — | EP | claimed |
| US-7745446-B2 | Pyrazolo[1,5-c]pyrimidines | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-29 | — | — | US | claimed |
| EP-0946528-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | claimed |
| WO-1999032454-A1 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-07-01 | — | — | WO | claimed |
| US-5877312-A | Method for preparing alkylating agents for their use for alkylating cyclic ureas | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-03-02 | — | — | US | claimed |
| WO-1998028282-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | claimed |
| EP-0830349-A1 | METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-03-25 | — | — | EP | claimed |
| US-5723480-A | Adhesion receptor antagonists III | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-03 | — | — | US | claimed |
| US-5637780-A | Method for preparing alkylating agents and their use for alkylating cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-06-10 | — | — | US | claimed |
| EP-0767770-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-16 | — | — | EP | claimed |
| WO-1996039393-A1 | METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-12 | — | — | WO | claimed |
| WO-1996000708-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-11 | — | — | WO | claimed |