⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL758883 | 0.72 | CA2 (0.41) | — | |
| SCHEMBL2085247 | 0.72 | CA2 (0.41) | — | |
| SCHEMBL160 | 0.72 | CA2 (0.41) | — | |
| SCHEMBL758884 | 0.72 | CA2 (0.41) | — | |
| SCHEMBL6830251 | 0.69 | CA2 (0.39) | — | |
| SCHEMBL9766897 | 0.69 | — | — | |
| SCHEMBL6448264 | 0.69 | CA2 (0.39) | — | |
| Lithium SCHEMBL1493039 | 0.69 | CA2 (0.39) | — | |
| SCHEMBL2471225 | 0.69 | — | — | |
| SCHEMBL6448263 | 0.69 | CA2 (0.39) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104342098-A | Alkali-free surface active agent for displacing oil and preparation method thereof | HEILONGJIANG XINWEIYUAN CHEMICAL CO LTD | 2015-02-11 | — | — | CN | claimed |
| CN-116583522-A | Indolo [3.2.1-JK ] carbazole-6-carbonitrile derivatives as blue fluorescent emitters for use in OLEDs | 默克专利有限公司 | 2023-08-11 | — | — | CN | disclosed |
| WO-2017216280-A1 | TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-12-21 | — | — | WO | disclosed |
| CN-104342098-B | A kind of displacement of reservoir oil alkali-free tensio-active agent and preparation method thereof | Heilungkiang Xin Weiyuan Chemical Co., Ltd. (CN) | 2016-02-17 | — | — | CN | disclosed |
| CN-103228665-B | Method for buffering chemical or biological composition | SACHEM INC | 2015-06-17 | — | — | CN | disclosed |
| CN-104342098-A | Alkali-free surface active agent for displacing oil and preparation method thereof | HEILONGJIANG XINWEIYUAN CHEMICAL CO LTD | 2015-02-11 | — | — | CN | disclosed |
| CN-101657443-B | [1,2,3] triazole-substituted quinolines and coumarins as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA LTD | 2013-10-23 | — | — | CN | disclosed |
| CN-103228665-A | Method for buffering chemical or biological composition | SACHEM INC | 2013-07-31 | — | — | CN | disclosed |
| US-8324401-B2 | Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-12-04 | — | — | US | disclosed |
| CN-102015755-A | Vaccines and vaccine components for inhibiting microbial cells | PASTORAL GREENHOUSE GAS RES LT | 2011-04-13 | — | — | CN | disclosed |
| CN-101657443-A | [1,2,3] triazole-substituted quinolines and coumarins as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA LTD CA | 2010-02-24 | — | — | CN | disclosed |
| US-20090325961-A1 | INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2009-12-31 | — | — | US | disclosed |
| US-7592461-B2 | Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-22 | — | — | US | disclosed |
| CN-100509802-C | Heteroaryl deravatives as PPAR activators | HOFFMANN LA ROCHE (CH) | 2009-07-08 | — | — | CN | disclosed |
| EP-1973890-A2 | INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF | Brystol-Myers Squibb Company (US) | 2008-10-01 | — | — | EP | disclosed |
| US-20070185056-A1 | Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY | 2007-08-09 | — | — | US | disclosed |
| WO-2007073503-A2 | INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-28 | — | — | WO | disclosed |
| CN-1878768-A | heteroaryl derivatives as PPAR activators | HOFFMANN LA ROCHE (CH) | 2006-12-13 | — | — | CN | disclosed |
| US-6693123-B2 | (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA | UNIVERSITY OF PITTSBURGH | 2004-02-17 | — | — | US | disclosed |
| US-20020193596-A1 | Inhibitors of protein isoprenyl transferases | UNIVERSITY OF PITTSBURGH (US) | 2002-12-19 | — | — | US | disclosed |