⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29427107 | 1.00 | — | — | |
| Formaldehyde SCHEMBL27853723 | 0.93 | TAAR1 (0.50) | — | |
| Cyanide SCHEMBL27941870 | 0.93 | TAAR1 (0.50) | — | |
| Propionaldehyde SCHEMBL27650408 | 0.88 | CYP1A2 (0.46) | — | |
| SCHEMBL1712235 | 0.88 | TAAR1 (0.46) | — | |
| SCHEMBL25915129 | 0.87 | BCL2 (0.51) | — | |
| Phenol SCHEMBL28846666 | 0.86 | MAOB (0.47) | — | |
| SCHEMBL27650406 | 0.86 | GAA (0.49) | — | |
| SCHEMBL1539285 | 0.85 | TAAR1 (0.52) | — | |
| SCHEMBL29979925 | 0.81 | TAAR1 (0.63) | — |
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 987 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116535279-B | Continuous and intermittent method for carbon nitride photoactivation molecular oxygen solvent-free oxidation of aromatic C-H bond | 大连理工大学 | 2024-11-26 | — | — | CN | claimed |
| CN-115340992-A | Immobilized carrier and preparation method thereof, photocatalyst, preparation method and application thereof, and synthesis method of chiral alcohol | 河北工业大学 | 2022-11-15 | — | — | CN | claimed |
| CN-110372469-A | Hydrogenate annulus [12] aromatic compound and preparation method thereof | 清华大学 | 2019-10-25 | — | — | CN | claimed |
| CN-110372468-A | Hydrogenate annulus [8] aromatic compound and preparation method thereof | 清华大学 | 2019-10-25 | — | — | CN | claimed |
| CN-109776443-A | A kind of furodiazole compound and preparation method thereof with antioxidation | 河南湾流生物科技有限公司 | 2019-05-21 | — | — | CN | claimed |
| CN-105712849-A | Method for preparing aromatic ketone by oxidation of aromatic hydrocarbon under catalytic action of metalloporphyrin framework catalyst | 中国科学院大连化学物理研究所 | 2016-06-29 | — | — | CN | claimed |
| US-8372848-B2 | N-benzylamino cyclic thioureas; obesity and related disorders; (N-(3-{(4S)-1-[(1S)-2-(benzylamino)-1-methylethyl]-3-[2-(3-fluorophenyl)ethyl]-2-thioxoimidazolidin-4-yl}propyl)guanidine | MIXTURE SCIENCES, INC. (US) | 2013-02-12 | — | — | US | claimed |
| US-8148537-B2 | Substituted acetophenones useful as PDE4 inhibitors | LEO PHARMA A/S (DK) | 2012-04-03 | — | — | US | claimed |
| EP-2125736-B1 | SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS | LEO PHARMA AS (DK) | 2011-03-30 | — | — | EP | claimed |
| US-20100035908-A1 | SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS | LEO PHARMA (DK) | 2010-02-11 | — | — | US | claimed |
| WO-2008077404-A1 | SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS | LEO PHARMA A/S (DK) | 2008-07-03 | — | — | WO | claimed |
| EP-1727540-A1 | MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE | The Regents Of the University of California (US) | 2006-12-06 | — | — | EP | claimed |
| WO-2005094817-A1 | MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-10-13 | — | — | WO | claimed |
| WO-2004022542-A2 | SUBSTITUTED 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES | Grünenthal GmbH (DE) | 2004-03-18 | — | — | WO | claimed |
| CN-1259948-A | 6,7-disubstituted-4-aminopyrido [2,3-D] pyrimidine compounds | ABBOTT LAB (US) | 2000-07-12 | — | — | CN | claimed |
| CN-1252070-A | 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors | ABBOTT LAB (US) | 2000-05-03 | — | — | CN | claimed |
| US-6030969-A | ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS | ABBOTT LABORATORIES (US) | 2000-02-29 | — | — | US | claimed |
| US-5786448-A | FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES | TREGA BIOSCIENCES, INC. (US) | 1998-07-28 | — | — | US | claimed |
| WO-1998019693-A1 | COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN | TREGA BIOSCIENCES, INC. (US) | 1998-05-14 | — | — | WO | claimed |
| US-5380910-A | Dehalogeno coupling | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 1995-01-10 | — | — | US | claimed |