⚠ 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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL1542 | 1.00 | — | — | |
| Bromobenzene SCHEMBL537562 | 1.00 | ALDH1A1 (1.00) | — | |
| Bromobenzene SCHEMBL1331681 | 1.00 | — | — | |
| Bromobenzene SCHEMBL1332317 | 1.00 | — | — | |
| Bromobenzene SCHEMBL1331176 | 1.00 | — | — | |
| Bromobenzene SCHEMBL20537325 | 1.00 | ALDH1A1 (1.00) | — | |
| SCHEMBL24508036 | 0.96 | ALDH1A1 (0.92) | — | |
| Bromobenzene SCHEMBL313507 | 0.96 | ALDH1A1 (0.92) | — | |
| Bromobenzene SCHEMBL22390537 | 0.96 | — | — | |
| Bromobenzene SCHEMBL11077625 | 0.96 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1742915-A2 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHY-DROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2007-01-17 | — | — | EP | claimed |
| WO-2005120505-A2 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHY-DROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC (US) | 2005-12-22 | — | — | WO | claimed |
| CN-104666292-B | Medicine for treating cervical and lumbar diseases | 刘力 | 2020-02-18 | — | — | CN | disclosed |
| EP-2941420-A1 | (4E)-4-(4-SUBSTITUTED BENZYLIDENEAMINO)-2,3-DIHYDRO-3- SUBSTITUTED-2-THIOXOTHIAZOLE-5-CARBONITRILES AS A2AR ANTAGONIST AND PROCESS FOR PREPARATION THEREOF | Council of Scientific & Industrial Research (IN) | 2015-11-11 | — | — | EP | disclosed |
| WO-2014106861-A1 | (4E)-4-(4-SUBSTITUTED BENZYLIDENEAMINO)-2,3-DIHYDRO-3- SUBSTITUTED-2-THIOXOTHIAZOLE-5-CARBONITRILES AS A2AR ANTAGONIST AND PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2014-07-10 | — | — | WO | disclosed |
| US-8378050-B2 | Linear and cross-linked high molecular weight polysilanes, polygermanes, and copolymers thereof, compositions containing the same, and methods of making and using such compounds and compositions | KOVIO, INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-20110183502-A1 | Linear and Cross-Linked High Molecular Weight Polysilanes, Polygermanes, and Copolymers Thereof, Compositions Containing the Same, and Methods of Making and Using Such Compounds and Compositions | ENSURGE MICROPOWER ASA | 2011-07-28 | — | — | US | disclosed |
| CN-100460377-C | Process for preparation of cyclohexanol derivatives | YANTAI VALIANT FINE CHEMICALS (CN) | 2009-02-11 | — | — | CN | disclosed |
| EP-1943669-A2 | LINEAR AND CROSS-LINKED HIGH MOLECULAR WEIGHT POLYSILANES, POLYGERMANES, AND COPOLYMERS THEREOF, COMPOSITIONS CONTAINING THE SAME, AND METHODS OF MAKING AND USING SUCH COMPOUNDS AND COMPOSITIONS | Nanogram Corporation (US) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007044429-A2 | LINEAR AND CROSS-LINKED HIGH MOLECULAR WEIGHT POLYSILANES, POLYGERMANES, AND COPOLYMERS THEREOF, COMPOSITIONS CONTAINING THE SAME, AND METHODS OF MAKING AND USING SUCH COMPOUNDS AND COMPOSITIONS | NANOGRAM CORPORATION (US) | 2007-04-19 | — | — | WO | disclosed |
| US-20070078252-A1 | Linear and cross-linked high molecular weight polysilanes, polygermanes, and copolymers thereof, compositions containing the same, and methods of making and using such compounds and compositions | ENSURGE MICROPOWER ASA | 2007-04-05 | — | — | US | disclosed |
| CN-1923778-A | Cyclohexanol derivative, cyclohexanone derivative and preparation method | VALIANT FINE CHEMICALS CO LTD (CN) | 2007-03-07 | — | — | CN | disclosed |
| EP-1506175-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097609-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-11-27 | — | — | WO | disclosed |