⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15492447 | 0.80 | — | — | |
| SCHEMBL15129906 | 0.79 | EPHX1 (0.39) | — | |
| SCHEMBL595473 | 0.78 | — | — | |
| SCHEMBL28931795 | 0.78 | — | — | |
| SCHEMBL3019126 | 0.76 | CYP2C19 (0.35) | — | |
| SCHEMBL27782458 | 0.76 | — | — | |
| SCHEMBL2434532 | 0.76 | — | — | |
| SCHEMBL31547 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL27804006 | 0.76 | — | — | |
| SCHEMBL3831144 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4003355-A1 | DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | Janssen Sciences Ireland Unlimited Company (IE) | 2022-06-01 | — | — | EP | disclosed |
| WO-2021018237-A1 | DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | Janssen Sciences Ireland Unlimited Company (IE) | 2021-02-04 | — | — | WO | disclosed |
| EP-3164388-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2017-05-10 | — | — | EP | disclosed |
| US-9630924-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-04-25 | — | — | US | disclosed |
| US-20160176872-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2016-06-23 | — | — | US | disclosed |
| EP-2408300-B1 | AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE | SUNSHINE LAKE PHARMA CO LTD (CN) | 2016-05-11 | — | — | EP | disclosed |
| WO-2016002968-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-07 | — | — | WO | disclosed |
| US-20160002169-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-07 | — | — | US | disclosed |
| CN-102638981-A | Substituted piperidines that increase p53 activity and uses thereof | SCHERING CORP | 2012-08-15 | — | — | CN | disclosed |
| US-8232294-B2 | Amino ester derivatives, sailts thereof and methods of use | Xi, Ning (US) | 2012-07-31 | — | — | US | disclosed |
| EP-2408300-A1 | AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE | Sunshine Lake Pharma Co., Ltd (CN) | 2012-01-25 | — | — | EP | disclosed |
| CN-102212062-A | Derivative of amino ester, salt thereof and using method | DONGGUAN CHANGAN EAST SUNSHINE DRUG R & D CO LTD | 2011-10-12 | — | — | CN | disclosed |
| US-7829716-B2 | decyclization of {3-[(E)-2(7-chloro-2-quinolinyl)vinyl]phenyl}-4,5-dihydro-3H-benzo[c]thiepin-1-one by methylmagnesium halide with following conversion to montelukast | Synthon Pharmaceuticals, Inc. (US) | 2010-11-09 | — | — | US | disclosed |
| WO-2010111063-A1 | AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE | XI NING (US) | 2010-09-30 | — | — | WO | disclosed |
| US-20100239576-A1 | AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2010-09-23 | — | — | US | disclosed |
| EP-2162436-A1 | NOVEL CASE OF RENIN INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2010-03-17 | — | — | EP | disclosed |
| WO-2008141462-A9 | NOVEL CASE OF RENIN INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2009-01-08 | — | — | WO | disclosed |
| WO-2008141462-A1 | NOVEL CASE OF RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2008-11-27 | — | — | WO | disclosed |
| US-20050245568-A1 | Process for making montelukast and intermediates therefor | SYNTHON BV (NL) | 2005-11-03 | — | — | US | disclosed |
| US-6268395-B1 | FOR EXAMPLE ANTI-HIV AGENT; HAVING HIGHER ANTIVIRAL EFFECTS AND LESS DELETERIOUS SIDE EFFECTS AS COMPARED WITH CONVENTIONALLY KNOWN ANTIVIRAL AGENTS. | LEAD CHEMICAL CO., LTD. (JP) | 2001-07-31 | — | — | US | disclosed |