⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18721774 | 0.81 | MAOA (0.46) | — | |
| SCHEMBL8487541 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL8487542 | 0.81 | MAOA (0.46) | — | |
| SCHEMBL10588951 | 0.79 | MAPT (0.42) | — | |
| SCHEMBL15630156 | 0.78 | — | — | |
| SCHEMBL5464495 | 0.78 | MAOA (0.39) | — | |
| SCHEMBL2691041 | 0.77 | — | — | |
| SCHEMBL8083467 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL60469 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL11934162 | 0.76 | MAOA (0.43) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105348060-B | A kind of preparation method of 1,2 derovatives | 江苏强盛功能化学股份有限公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-105348060-A | Preparation method of 1,2-diketone derivative | CHINASUN SPECIALTY PRODUCTS CO LTD | 2016-02-24 | — | — | CN | disclosed |
| EP-2972299-A2 | METHODS FOR IDENTIFYING ARTHROPOD REPELLENTS AND ATTRACTANTS, AND COMPOUNDS AND COMPOSITIONS IDENTIFIED BY SUCH METHODS | The Regents of The University of California (US) | 2016-01-20 | — | — | EP | disclosed |
| CN-104968214-A | AGENT FOR IMPARTING HARDENED OIL FLAVOR | HASEGAWA T CO LTD | 2015-10-07 | — | — | CN | disclosed |
| WO-2014144685-A2 | METHODS FOR IDENTIFYING ARTHROPOD REPELLENTS AND ATTRACTANTS, AND COMPOUNDS AND COMPOSITIONS IDENTIFIED BY SUCH METHODS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-09-18 | — | — | WO | disclosed |
| EP-2044034-B1 | ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) | HOFFMANN LA ROCHE (CH) | 2012-08-22 | — | — | EP | disclosed |
| EP-1904455-B1 | PYRIDAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-08-17 | — | — | EP | disclosed |
| US-7678795-B2 | Pyridazines as 11b-HSD1 inhibitors | HOFFMAN-LA ROCHE INC. (US) | 2010-03-16 | — | — | US | disclosed |
| US-7547697-B2 | Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2009-06-16 | — | — | US | disclosed |
| EP-2044034-A1 | ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) | F. Hoffmann-Roche AG (CH) | 2009-04-08 | — | — | EP | disclosed |
| EP-1928992-A1 | CONSUMER PRODUCTS HAVING VARYING ODORS | Henkel AG & Co. KGaA (DE) | 2008-06-11 | — | — | EP | disclosed |
| EP-1904455-A2 | PYRIDAZINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2008-04-02 | — | — | EP | disclosed |
| WO-2008003611-A1 | ALKYL-PYRIDAZINE DERIVATIVES AS INHIBITORS OF 11 BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1(11B-HSD 1) | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-10 | — | — | WO | disclosed |
| US-20080009499-A1 | Alkyl-pyridazine derivatives as 11b-HSD1 inhibitors | HOFFMANN-LA ROCHE INC. | 2008-01-10 | — | — | US | disclosed |
| WO-2007028479-A1 | CONSUMER PRODUCTS HAVING VARYING ODORS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-03-15 | — | — | WO | disclosed |
| WO-2007008863-A2 | DERIVATIVES OF DI-CARBONYL AROMACHEMICALS | FLEXITRAL, INC. (US) | 2007-01-18 | — | — | WO | disclosed |
| WO-2007003521-A2 | PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-11 | — | — | WO | disclosed |
| US-20070010519-A1 | New pyridazines as 11B-HSD1 inhibitors | HOFFMANN-LA ROCHE INC. | 2007-01-11 | — | — | US | disclosed |
| CN-1136764-A | Flavouring compositions and its preparing method | FIRMENICH & CIE (CH) | 1996-11-27 | — | — | CN | disclosed |