⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18224274 | 0.72 | — | — | |
| SCHEMBL726467 | 0.72 | — | — | |
| SCHEMBL1515401 | 0.72 | — | — | |
| SCHEMBL24604 | 0.61 | — | — | |
| SCHEMBL14721708 | 0.61 | — | — | |
| SCHEMBL444758 | 0.61 | — | — | |
| Water SCHEMBL2687435 | 0.55 | — | — | |
| Ammonia Solution, Strong SCHEMBL9317182 | 0.55 | — | — | |
| SCHEMBL729481 | 0.55 | — | — | |
| SCHEMBL2044940 | 0.55 | — | — |
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 274 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115215861-A | Aromatic heterocycle substituted alkyne compound and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-10-21 | — | — | CN | claimed |
| EP-1905774-B1 | Fused heterocyclic compounds as serotonin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2013-02-20 | — | — | EP | claimed |
| EP-1928461-B1 | PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2012-01-04 | — | — | EP | claimed |
| US-20110040088-A1 | FUSED HETEROCYCLIC COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2011-02-17 | — | — | US | claimed |
| US-20100016281-A1 | PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-01-21 | — | — | US | claimed |
| US-20090270370-A1 | FUSED HETEROCYCLIC COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2009-10-29 | — | — | US | claimed |
| EP-1668014-B1 | FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2009-01-14 | — | — | EP | claimed |
| US-7402680-B2 | Fused heterocyclic compounds | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-07-22 | — | — | US | claimed |
| EP-1944306-A1 | Fused heterocyclic compounds as serotonin receptor modulators | Janssen Pharmaceutica, N.V. (BE) | 2008-07-16 | — | — | EP | claimed |
| EP-1928461-A1 | PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-06-11 | — | — | EP | claimed |
| WO-2000018721-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | claimed |
| EP-0934326-A1 | SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS | Novartis AG (CH) | 1999-08-11 | — | — | EP | claimed |
| WO-1998017672-A1 | SUBSTITUTED AMINOALKANE PHOSPHONIC ACIDS | NOVARTIS AG (CH) | 1998-04-30 | — | — | WO | claimed |
| US-5480987-A | 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them | AMERICAN CYANAMID COMPANY (US) | 1996-01-02 | — | — | US | claimed |
| US-5369102-A | B-lactamase inhibitors | AMERICAN CYANAMID COMPANY (US) | 1994-11-29 | — | — | US | claimed |
| US-5153322-A | Chemical intermediates for surfactants, lubricants, coatings, hydraulic fluids, water and oil repellents | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1992-10-06 | — | — | US | claimed |
| EP-0478874-A2 | Novel 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them | AMERICAN CYANAMID COMPANY (US) | 1992-04-08 | — | — | EP | claimed |
| US-5068232-A | Bactericides | AMERICAN CYANAMID COMPANY (US) | 1991-11-26 | — | — | US | claimed |
| US-4889656-A | SURFACTANTS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1989-12-26 | — | — | US | claimed |
| EP-0314380-A1 | Perfluoro(cycloaliphatic methyleneoxyalkylene)carbonyl fluorides and derivatives thereof | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1989-05-03 | — | — | EP | claimed |