⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6445907 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2950615 | 0.96 | — | — | |
| SCHEMBL3668939 | 0.84 | — | — | |
| SCHEMBL4383615 | 0.84 | — | — | |
| SCHEMBL9115345 | 0.83 | — | — | |
| SCHEMBL3667003 | 0.81 | EPHX1 (0.48) | — | |
| SCHEMBL18402782 | 0.81 | EPHX1 (0.48) | — | |
| SCHEMBL80338 | 0.81 | — | — | |
| SCHEMBL10910429 | 0.81 | EPHX1 (0.48) | — | |
| SCHEMBL20211173 | 0.78 | ALDH1A1 (0.44) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023091554-A1 | NOVEL HETEROARYL-UREA COMPOUNDS AS KV7.2 INHIBITORS | ICAGEN, LLC (US) | 2023-05-25 | — | — | WO | disclosed |
| EP-3002284-B1 | HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY | HOFFMANN LA ROCHE (CH) | 2019-05-22 | — | — | EP | disclosed |
| EP-2906549-B1 | N-(2-(CYCLIC AMINE)ETHYL)BENZAMIDE DERIVATIVES AS P2X7 INHIBITORS | MINDIMMUNE THERAPEUTICS INC (US) | 2019-04-17 | — | — | EP | disclosed |
| US-8877741-B2 | Pyrrolidine derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |
| US-20140213568-A1 | Pyrrolidine derivatives, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-31 | — | — | US | disclosed |
| EP-2318377-B1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH INC (US) | 2013-08-21 | — | — | EP | disclosed |
| US-20120165313-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2012-06-28 | — | — | US | disclosed |
| US-8163763-B2 | Pyrimidine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2318377-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Genentech, Inc. (US) | 2011-05-11 | — | — | EP | disclosed |
| US-20100069357-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-03-18 | — | — | US | disclosed |
| WO-2010014939-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-02-04 | — | — | WO | disclosed |
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| EP-1515973-A1 | PORPHYRIN-POLYAMINE CONJUGATES FOR CANCER THERAPY | Cellgate Inc. (US) | 2005-03-23 | — | — | EP | disclosed |
| WO-2004106285-A1 | BENZAMIDE NITRILE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-09 | — | — | WO | disclosed |
| WO-2004002991-A1 | PORPHYRIN-POLYAMINE CONJUGATES FOR CANCER THERAPY | CELLGATE, INC. (US) | 2004-01-08 | — | — | WO | disclosed |
| US-6107309-A | BLOOD DISORDERS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-08-22 | — | — | US | disclosed |
| EP-0171342-B1 | SUBSTITUTED 2-(1-AMINO-AKYLIDENYL)1,3-INDANE DIONES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE | CORTIAL S.A. (FR) | 1987-10-07 | — | — | EP | disclosed |
| EP-0171342-A1 | Substituted 2-(1-amino-akylidenyl)1,3-indane diones, process for their preparation and their therapeutical use | CORTIAL S.A. (FR) | 1986-02-12 | — | — | EP | disclosed |