⚠ 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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL27958589 | 0.86 | CHRNB2 (0.49) | — | |
| SCHEMBL1875084 | 0.83 | CHRNB2 (0.62) | — | |
| SCHEMBL1872230 | 0.83 | CHRNB2 (0.62) | — | |
| Hydrochloric Acid SCHEMBL7456630 | 0.82 | CHRNB2 (0.61) | — | |
| SCHEMBL7243314 | 0.82 | CHRNB2 (0.61) | — | |
| SCHEMBL23982411 | 0.78 | — | — | |
| SCHEMBL434891 | 0.78 | — | — | |
| SCHEMBL3220945 | 0.78 | CHRNB2 (0.56) | — | |
| SCHEMBL2539435 | 0.78 | — | — | |
| SCHEMBL29583143 | 0.78 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110099898-A | compound and use thereof | 优曼尼蒂治疗公司 | 2019-08-06 | — | — | CN | disclosed |
| CN-106164047-B | 1,2- substituted cyclopentane as orexin receptor antagonists | 武田药品工业株式会社 | 2019-04-16 | — | — | CN | disclosed |
| CN-109563057-A | Sulfonamide compounds or its salt | 大鹏药品工业株式会社 | 2019-04-02 | — | — | CN | disclosed |
| CN-106164076-B | Compound as ROS1 inhibitor | 詹森药业有限公司 | 2019-03-26 | — | — | CN | disclosed |
| CN-109415358-A | 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators | 詹森药业有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-108349942-A | Indolin-2-one derivative for treating CNS and relevant disease | 豪夫迈·罗氏有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-107954913-A | A kind of preparation method of the nitrogenous unsaturated cyclic hydrocarbon of halo | 山东天信化工有限公司 | 2018-04-24 | — | — | CN | disclosed |
| CN-106164076-A | As be replaced the 4 of ROS1 inhibitor, 5,6,7 tetrahydro-pyrazoles also [1,5 a] pyrazines derivatives and 5,6,7,8 tetrahydrochysene 4H pyrazolo [1,5 a] [Isosorbide-5-Nitrae] diazacyclo heptantriene derivants | 詹森药业有限公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-106164047-A | 1,2 substituted cyclopentanes as orexin receptor antagonists | 武田药品工业株式会社 | 2016-11-23 | — | — | CN | disclosed |
| CN-106065018-A | Substituted benzazolyl compounds and using method thereof and purposes | 广东东阳光药业有限公司 | 2016-11-02 | — | — | CN | disclosed |
| CN-103965168-A | Aryl/heteroaryl-substituted 2-aminopyridine inhibitor for protein kinase | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD | 2014-08-06 | — | — | CN | disclosed |
| CN-102884048-B | Amino-heteroaryl derivatives as HCN blockers | MSD OSS BV | 2014-07-23 | — | — | CN | disclosed |
| CN-103906512-A | Tetracyclic heterocyclic compounds and methods of use thereof for treating viral diseases | MERCK SHARP & DOHME | 2014-07-02 | — | — | CN | disclosed |
| CN-101815713-B | Polycyclic compounds | EISAI R&D MAN CO LTD | 2013-09-11 | — | — | CN | disclosed |
| CN-1950371-B | Tetrahydronaphthyridine derivatives useful as histamine h3 receptor ligands | PFIZER LTD | 2011-01-12 | — | — | CN | disclosed |
| CN-101798305-A | Tetrahydronaphthyridderivates derivates as histamine H 3 receptor ligands | PFIZER | 2010-08-11 | — | — | CN | disclosed |
| CN-1950371-A | Tetrahydronaphthyridine derivatives useful as histamine h3 receptor ligands | PFIZER LTD (US) | 2007-04-18 | — | — | CN | disclosed |
| EP-0271059-B1 | 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-10-20 | — | — | EP | disclosed |
| US-4971984-A | Cardiovascular disorders, hypotensive agints | BEEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1990-11-20 | — | — | US | disclosed |
| EP-0271059-A1 | 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-06-15 | — | — | EP | disclosed |