⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28312694 | 1.00 | — | — | |
| SCHEMBL28051999 | 1.00 | — | — | |
| SCHEMBL29192026 | 0.86 | — | — | |
| SCHEMBL27992300 | 0.83 | MMP2 (0.31) | — | |
| SCHEMBL15769365 | 0.81 | MMP2 (0.32) | — | |
| SCHEMBL15769582 | 0.81 | MMP2 (0.32) | — | |
| SCHEMBL431607 | 0.81 | MMP2 (0.32) | — | |
| SCHEMBL27767276 | 0.80 | — | — | |
| SCHEMBL27853009 | 0.77 | MME (0.32) | — | |
| SCHEMBL27718153 | 0.76 | ENO1 (0.31) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110248936-A | Compound | 葛兰素史密斯克莱知识产权发展有限公司 | 2019-09-17 | — | — | CN | disclosed |
| CN-110088103-A | Novel tetrahydropyridopyrimidine compounds for the treatment and prophylaxis of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-105025899-A | Having a2AHeterobicyclically substituted- [1 ] with antagonist properties | MERCK SHARP & DOHME | 2015-11-04 | — | — | CN | disclosed |
| CN-104203928-A | Triazinone compound and T-type calcium channel inhibitor | NISSAN CHEMICAL IND LTD | 2014-12-10 | — | — | CN | disclosed |
| CN-103788089-A | Fused heterocyclic compounds as serotonin receptor modulators | JANSSEN PHARMACEUTICA NV | 2014-05-14 | — | — | CN | disclosed |
| CN-102112467-B | Pyrimidine derivative as kinase inhibitors | IRM LLC | 2014-04-30 | — | — | CN | disclosed |
| CN-1882590-B | Fused heterocyclic compounds as serotonin receptor modulators | JANSSEN PHARMACEUTICA NV | 2014-03-05 | — | — | CN | disclosed |
| CN-101318961-B | Fused heterocyclic compound | JANSSEN PHARMACEUTICA NV | 2012-11-28 | — | — | CN | disclosed |
| CN-102498111-A | Sulfonamides as inhibitors of Bcl-2 family proteins for the treatment of cancer | NOVARTIS AG | 2012-06-13 | — | — | CN | disclosed |
| CN-102066337-A | 5-hydroxypyrimidine-4-carboxamide compounds | DAIICHI SANKYO CO LTD | 2011-05-18 | — | — | CN | disclosed |
| CN-101754962-A | N-azacyclic substituted pyrrole, imidazole, triazole and tetrazole derivatives as agonists of the RUP3 or GPR119 for the treatment of diabetes and metabolic disorders | METABOLEX INC | 2010-06-23 | — | — | CN | disclosed |
| CN-101318961-A | Fused heterocyclic compound | JANSSEN PHARMACEUTICA NV (BE) | 2008-12-10 | — | — | CN | disclosed |
| CN-101318962-A | Fused heterocyclic compound | JANSSEN PHARMACEUTICA NV (BE) | 2008-12-10 | — | — | CN | disclosed |
| CN-1882590-A | Fused heterocyclic compounds as serotonin receptor modulators | JOHNSON & JOHNSON (BE) | 2006-12-20 | — | — | CN | disclosed |
| CN-1777584-A | As 5-HT1F(Piperidyloxy) phenyl, (peridyloxy) pyridyl, (peridylthio) phenyl and (peridylthio) pyridyl compounds of agonists | LILLY CO ELI (US) | 2006-05-24 | — | — | CN | disclosed |